---
_id: '54969'
abstract:
- lang: eng
text: This work presents a new and facile route for the preparation of iron oxide-based
catalysts supported on alumina, which enables the targeted synthesis of catalysts
with an increased amount of isolated tetrahedrally coordinated iron centers compared
to a conventional impregnation procedure, and therefore leads to an increase in
activity for CO oxidation reaction. By a multi-step impregnation–calcination protocol,
the catalysts were synthesized with iron loadings of between 1 and 10 wt%, and
their catalytic activity was then compared with a 10 wt% loaded catalyst prepared
by conventional single impregnation. With a loading of 8 wt%, the presented catalysts
showed an improved catalytic activity regarding light-off and full conversion
temperatures compared to this reference. Through the application of several analytical
methods (PXRD, PDF, DRUVS, SEM, XAFS), the improved catalytic activity can be
correlated with an increased amount of isolated iron centers and a significantly
reduced fraction of agglomerates or particles.
article_number: '416'
article_type: original
author:
- first_name: Steffen
full_name: Schlicher, Steffen
last_name: Schlicher
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Nils
full_name: Prinz, Nils
last_name: Prinz
- first_name: Mirijam
full_name: Zobel, Mirijam
last_name: Zobel
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
citation:
ama: Schlicher S, Schoch R, Prinz N, Zobel M, Bauer M. New and Facile Preparation
Method for Highly Active Iron Oxide Catalysts for CO Oxidation. Catalysts.
2024;14(7). doi:10.3390/catal14070416
apa: Schlicher, S., Schoch, R., Prinz, N., Zobel, M., & Bauer, M. (2024). New
and Facile Preparation Method for Highly Active Iron Oxide Catalysts for CO Oxidation.
Catalysts, 14(7), Article 416. https://doi.org/10.3390/catal14070416
bibtex: '@article{Schlicher_Schoch_Prinz_Zobel_Bauer_2024, title={New and Facile
Preparation Method for Highly Active Iron Oxide Catalysts for CO Oxidation}, volume={14},
DOI={10.3390/catal14070416},
number={7416}, journal={Catalysts}, publisher={MDPI AG}, author={Schlicher, Steffen
and Schoch, Roland and Prinz, Nils and Zobel, Mirijam and Bauer, Matthias}, year={2024}
}'
chicago: Schlicher, Steffen, Roland Schoch, Nils Prinz, Mirijam Zobel, and Matthias
Bauer. “New and Facile Preparation Method for Highly Active Iron Oxide Catalysts
for CO Oxidation.” Catalysts 14, no. 7 (2024). https://doi.org/10.3390/catal14070416.
ieee: 'S. Schlicher, R. Schoch, N. Prinz, M. Zobel, and M. Bauer, “New and Facile
Preparation Method for Highly Active Iron Oxide Catalysts for CO Oxidation,” Catalysts,
vol. 14, no. 7, Art. no. 416, 2024, doi: 10.3390/catal14070416.'
mla: Schlicher, Steffen, et al. “New and Facile Preparation Method for Highly Active
Iron Oxide Catalysts for CO Oxidation.” Catalysts, vol. 14, no. 7, 416,
MDPI AG, 2024, doi:10.3390/catal14070416.
short: S. Schlicher, R. Schoch, N. Prinz, M. Zobel, M. Bauer, Catalysts 14 (2024).
date_created: 2024-07-02T07:10:14Z
date_updated: 2025-08-15T12:50:52Z
department:
- _id: '306'
doi: 10.3390/catal14070416
intvolume: ' 14'
issue: '7'
keyword:
- Catalysis
language:
- iso: eng
publication: Catalysts
publication_identifier:
issn:
- 2073-4344
publication_status: published
publisher: MDPI AG
status: public
title: New and Facile Preparation Method for Highly Active Iron Oxide Catalysts for
CO Oxidation
type: journal_article
user_id: '48467'
volume: 14
year: '2024'
...
---
_id: '46547'
author:
- first_name: Andrea
full_name: Rogolino, Andrea
last_name: Rogolino
- first_name: José B. G.
full_name: Filho, José B. G.
last_name: Filho
- first_name: Lorena
full_name: Fritsch, Lorena
id: '44418'
last_name: Fritsch
- first_name: José D.
full_name: Ardisson, José D.
last_name: Ardisson
- first_name: Marcos A. R.
full_name: da Silva, Marcos A. R.
last_name: da Silva
- first_name: Gabriel Ali
full_name: Atta Diab, Gabriel Ali
last_name: Atta Diab
- first_name: Ingrid Fernandes
full_name: Silva, Ingrid Fernandes
last_name: Silva
- first_name: Carlos André Ferreira
full_name: Moraes, Carlos André Ferreira
last_name: Moraes
- first_name: Moacir Rossi
full_name: Forim, Moacir Rossi
last_name: Forim
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Ivo F.
full_name: Teixeira, Ivo F.
last_name: Teixeira
citation:
ama: Rogolino A, Filho JBG, Fritsch L, et al. Direct Synthesis of Acetone by Aerobic
Propane Oxidation Promoted by Photoactive Iron(III) Chloride under Mild Conditions.
ACS Catalysis. 2023;13(13):8662-8669. doi:10.1021/acscatal.3c02092
apa: Rogolino, A., Filho, J. B. G., Fritsch, L., Ardisson, J. D., da Silva, M. A.
R., Atta Diab, G. A., Silva, I. F., Moraes, C. A. F., Forim, M. R., Bauer, M.,
Kühne, T. D., Antonietti, M., & Teixeira, I. F. (2023). Direct Synthesis of
Acetone by Aerobic Propane Oxidation Promoted by Photoactive Iron(III) Chloride
under Mild Conditions. ACS Catalysis, 13(13), 8662–8669. https://doi.org/10.1021/acscatal.3c02092
bibtex: '@article{Rogolino_Filho_Fritsch_Ardisson_da Silva_Atta Diab_Silva_Moraes_Forim_Bauer_et
al._2023, title={Direct Synthesis of Acetone by Aerobic Propane Oxidation Promoted
by Photoactive Iron(III) Chloride under Mild Conditions}, volume={13}, DOI={10.1021/acscatal.3c02092},
number={13}, journal={ACS Catalysis}, publisher={American Chemical Society (ACS)},
author={Rogolino, Andrea and Filho, José B. G. and Fritsch, Lorena and Ardisson,
José D. and da Silva, Marcos A. R. and Atta Diab, Gabriel Ali and Silva, Ingrid
Fernandes and Moraes, Carlos André Ferreira and Forim, Moacir Rossi and Bauer,
Matthias and et al.}, year={2023}, pages={8662–8669} }'
chicago: 'Rogolino, Andrea, José B. G. Filho, Lorena Fritsch, José D. Ardisson,
Marcos A. R. da Silva, Gabriel Ali Atta Diab, Ingrid Fernandes Silva, et al. “Direct
Synthesis of Acetone by Aerobic Propane Oxidation Promoted by Photoactive Iron(III)
Chloride under Mild Conditions.” ACS Catalysis 13, no. 13 (2023): 8662–69.
https://doi.org/10.1021/acscatal.3c02092.'
ieee: 'A. Rogolino et al., “Direct Synthesis of Acetone by Aerobic Propane
Oxidation Promoted by Photoactive Iron(III) Chloride under Mild Conditions,” ACS
Catalysis, vol. 13, no. 13, pp. 8662–8669, 2023, doi: 10.1021/acscatal.3c02092.'
mla: Rogolino, Andrea, et al. “Direct Synthesis of Acetone by Aerobic Propane Oxidation
Promoted by Photoactive Iron(III) Chloride under Mild Conditions.” ACS Catalysis,
vol. 13, no. 13, American Chemical Society (ACS), 2023, pp. 8662–69, doi:10.1021/acscatal.3c02092.
short: A. Rogolino, J.B.G. Filho, L. Fritsch, J.D. Ardisson, M.A.R. da Silva, G.A.
Atta Diab, I.F. Silva, C.A.F. Moraes, M.R. Forim, M. Bauer, T.D. Kühne, M. Antonietti,
I.F. Teixeira, ACS Catalysis 13 (2023) 8662–8669.
date_created: 2023-08-16T14:44:11Z
date_updated: 2024-03-07T09:34:41Z
doi: 10.1021/acscatal.3c02092
intvolume: ' 13'
issue: '13'
keyword:
- Catalysis
- General Chemistry
- pc2-ressources
- Computing Resources Provided by the Paderborn Center for Parallel Computing
language:
- iso: eng
page: 8662-8669
publication: ACS Catalysis
publication_identifier:
issn:
- 2155-5435
- 2155-5435
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Direct Synthesis of Acetone by Aerobic Propane Oxidation Promoted by Photoactive
Iron(III) Chloride under Mild Conditions
type: journal_article
user_id: '44418'
volume: 13
year: '2023'
...
---
_id: '52344'
abstract:
- lang: eng
text: Macrocyclization reactions are still challenging due to competing oligomerization,
which requires the use of small substrate concentrations. Here, the cationic tungsten
imido and tungsten oxo alkylidene N-heterocyclic carbene complexes [[W(N-2,6-Cl2-C6H3)(CHCMe2Ph(OC6F5)(pivalonitrile)(IMes)+
B(ArF)4−] (W1) and [W(O)(CHCMe2Ph(OCMe(CF3)2)(IMes)(CH3CN)+ B(ArF)4−] (W2) (IMes=1,3-dimesitylimidazol-2-ylidene;
B(ArF)4−=tetrakis(3,5-bis(trifluoromethyl)phenyl borate) have been immobilized
inside the pores of ordered mesoporous silica (OMS) with pore diameters of 3.3
and 6.8 nm, respectively, using a pore-selective immobilization protocol. X-ray
absorption spectroscopy of W1@OMS showed that even though the catalyst structure
is contracted due to confinement by the mesopores, both the oxidation state and
structure of the catalyst stayed intact upon immobilization. Catalytic testing
with four differently sized α,ω-dienes revealed a dramatically increased macrocyclization
(MC) and Z-selectivity of the supported catalysts compared to the homogenous progenitors,
allowing high substrate concentrations of 25 mM. With the supported complexes,
a maximum increase in MC-selectivity from 27 to 81 % and in Z-selectivity from
17 to 34 % was achieved. In general, smaller mesopores exhibited a stronger confinement
effect. A comparison of the two supported tungsten-based catalysts showed that
W1@OMS possesses a higher MC-selectivity, while W2@OMS exhibits a higher Z-selectivity
which can be rationalized by the structures of the catalysts.
article_type: original
author:
- first_name: Felix
full_name: Ziegler, Felix
last_name: Ziegler
- first_name: Johanna R.
full_name: Bruckner, Johanna R.
last_name: Bruckner
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Patrick
full_name: Probst, Patrick
last_name: Probst
- first_name: Boshra
full_name: Atwi, Boshra
last_name: Atwi
- first_name: Michael R.
full_name: Buchmeiser, Michael R.
last_name: Buchmeiser
citation:
ama: Ziegler F, Bruckner JR, Nowakowski M, et al. Macrocyclization of Dienes under
Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic
Carbene Complexes. ChemCatChem. 2023;15(21). doi:10.1002/cctc.202300871
apa: Ziegler, F., Bruckner, J. R., Nowakowski, M., Bauer, M., Probst, P., Atwi,
B., & Buchmeiser, M. R. (2023). Macrocyclization of Dienes under Confinement
with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes.
ChemCatChem, 15(21). https://doi.org/10.1002/cctc.202300871
bibtex: '@article{Ziegler_Bruckner_Nowakowski_Bauer_Probst_Atwi_Buchmeiser_2023,
title={Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo
Alkylidene N‐Heterocyclic Carbene Complexes}, volume={15}, DOI={10.1002/cctc.202300871},
number={21}, journal={ChemCatChem}, publisher={Wiley}, author={Ziegler, Felix
and Bruckner, Johanna R. and Nowakowski, Michał and Bauer, Matthias and Probst,
Patrick and Atwi, Boshra and Buchmeiser, Michael R.}, year={2023} }'
chicago: Ziegler, Felix, Johanna R. Bruckner, Michał Nowakowski, Matthias Bauer,
Patrick Probst, Boshra Atwi, and Michael R. Buchmeiser. “Macrocyclization of Dienes
under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic
Carbene Complexes.” ChemCatChem 15, no. 21 (2023). https://doi.org/10.1002/cctc.202300871.
ieee: 'F. Ziegler et al., “Macrocyclization of Dienes under Confinement with
Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes,”
ChemCatChem, vol. 15, no. 21, 2023, doi: 10.1002/cctc.202300871.'
mla: Ziegler, Felix, et al. “Macrocyclization of Dienes under Confinement with Cationic
Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes.” ChemCatChem,
vol. 15, no. 21, Wiley, 2023, doi:10.1002/cctc.202300871.
short: F. Ziegler, J.R. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, M.R.
Buchmeiser, ChemCatChem 15 (2023).
date_created: 2024-03-07T09:44:33Z
date_updated: 2024-05-07T11:41:51Z
department:
- _id: '306'
doi: 10.1002/cctc.202300871
intvolume: ' 15'
issue: '21'
keyword:
- Inorganic Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
- Catalysis
language:
- iso: eng
publication: ChemCatChem
publication_identifier:
issn:
- 1867-3880
- 1867-3899
publication_status: published
publisher: Wiley
status: public
title: Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo
Alkylidene N‐Heterocyclic Carbene Complexes
type: journal_article
user_id: '48467'
volume: 15
year: '2023'
...
---
_id: '52343'
abstract:
- lang: eng
text: Improved enantioselectivity in the 1,2-addition was observed for chiral Rh
norbornadiene catalysts immobilized on ordered mesoporous silica with small pores.
Confinement effects were rationalized by experimental and computational studies.
article_type: original
author:
- first_name: Manuel
full_name: Kirchhof, Manuel
last_name: Kirchhof
- first_name: Katrin
full_name: Gugeler, Katrin
last_name: Gugeler
- first_name: Ann-Katrin
full_name: Beurer, Ann-Katrin
last_name: Beurer
- first_name: Felix Richard
full_name: Fischer, Felix Richard
last_name: Fischer
- first_name: Derman
full_name: Batman, Derman
last_name: Batman
- first_name: Soeren M.
full_name: Bauch, Soeren M.
last_name: Bauch
- first_name: Sofia
full_name: Kolin, Sofia
last_name: Kolin
- first_name: Elliot
full_name: Nicholas, Elliot
last_name: Nicholas
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Charlotte
full_name: Vogler, Charlotte
last_name: Vogler
- first_name: Shravan R.
full_name: Kousik, Shravan R.
last_name: Kousik
- first_name: Anna
full_name: Zens, Anna
last_name: Zens
- first_name: Bernd
full_name: Plietker, Bernd
last_name: Plietker
- first_name: Petia
full_name: Atanasova, Petia
last_name: Atanasova
- first_name: Stefan
full_name: Naumann, Stefan
last_name: Naumann
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Johanna R.
full_name: Bruckner, Johanna R.
last_name: Bruckner
- first_name: Yvonne
full_name: Traa, Yvonne
last_name: Traa
- first_name: Johannes
full_name: Kästner, Johannes
last_name: Kästner
- first_name: Sabine
full_name: Laschat, Sabine
last_name: Laschat
citation:
ama: 'Kirchhof M, Gugeler K, Beurer A-K, et al. Tethering chiral Rh diene complexes
inside mesoporous solids: experimental and theoretical study of substituent, pore
and linker effects on asymmetric catalysis. Catalysis Science Technology.
2023;13(12):3709-3724. doi:10.1039/d3cy00381g'
apa: 'Kirchhof, M., Gugeler, K., Beurer, A.-K., Fischer, F. R., Batman, D., Bauch,
S. M., Kolin, S., Nicholas, E., Schoch, R., Vogler, C., Kousik, S. R., Zens, A.,
Plietker, B., Atanasova, P., Naumann, S., Bauer, M., Bruckner, J. R., Traa, Y.,
Kästner, J., & Laschat, S. (2023). Tethering chiral Rh diene complexes inside
mesoporous solids: experimental and theoretical study of substituent, pore and
linker effects on asymmetric catalysis. Catalysis Science Technology, 13(12),
3709–3724. https://doi.org/10.1039/d3cy00381g'
bibtex: '@article{Kirchhof_Gugeler_Beurer_Fischer_Batman_Bauch_Kolin_Nicholas_Schoch_Vogler_et
al._2023, title={Tethering chiral Rh diene complexes inside mesoporous solids:
experimental and theoretical study of substituent, pore and linker effects on
asymmetric catalysis}, volume={13}, DOI={10.1039/d3cy00381g},
number={12}, journal={Catalysis Science Technology}, publisher={Royal Society
of Chemistry (RSC)}, author={Kirchhof, Manuel and Gugeler, Katrin and Beurer,
Ann-Katrin and Fischer, Felix Richard and Batman, Derman and Bauch, Soeren M.
and Kolin, Sofia and Nicholas, Elliot and Schoch, Roland and Vogler, Charlotte
and et al.}, year={2023}, pages={3709–3724} }'
chicago: 'Kirchhof, Manuel, Katrin Gugeler, Ann-Katrin Beurer, Felix Richard Fischer,
Derman Batman, Soeren M. Bauch, Sofia Kolin, et al. “Tethering Chiral Rh Diene
Complexes inside Mesoporous Solids: Experimental and Theoretical Study of Substituent,
Pore and Linker Effects on Asymmetric Catalysis.” Catalysis Science Technology
13, no. 12 (2023): 3709–24. https://doi.org/10.1039/d3cy00381g.'
ieee: 'M. Kirchhof et al., “Tethering chiral Rh diene complexes inside mesoporous
solids: experimental and theoretical study of substituent, pore and linker effects
on asymmetric catalysis,” Catalysis Science Technology, vol. 13, no. 12,
pp. 3709–3724, 2023, doi: 10.1039/d3cy00381g.'
mla: 'Kirchhof, Manuel, et al. “Tethering Chiral Rh Diene Complexes inside Mesoporous
Solids: Experimental and Theoretical Study of Substituent, Pore and Linker Effects
on Asymmetric Catalysis.” Catalysis Science Technology, vol. 13, no. 12,
Royal Society of Chemistry (RSC), 2023, pp. 3709–24, doi:10.1039/d3cy00381g.'
short: M. Kirchhof, K. Gugeler, A.-K. Beurer, F.R. Fischer, D. Batman, S.M. Bauch,
S. Kolin, E. Nicholas, R. Schoch, C. Vogler, S.R. Kousik, A. Zens, B. Plietker,
P. Atanasova, S. Naumann, M. Bauer, J.R. Bruckner, Y. Traa, J. Kästner, S. Laschat,
Catalysis Science Technology 13 (2023) 3709–3724.
date_created: 2024-03-07T09:12:06Z
date_updated: 2025-06-16T09:00:17Z
department:
- _id: '306'
doi: 10.1039/d3cy00381g
intvolume: ' 13'
issue: '12'
keyword:
- Catalysis
language:
- iso: eng
page: 3709-3724
publication: Catalysis Science Technology
publication_identifier:
issn:
- 2044-4753
- 2044-4761
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: 'Tethering chiral Rh diene complexes inside mesoporous solids: experimental
and theoretical study of substituent, pore and linker effects on asymmetric catalysis'
type: journal_article
user_id: '48467'
volume: 13
year: '2023'
...
---
_id: '48167'
abstract:
- lang: eng
text: AbstractA new approach for the characterization
of CO2 methanation catalysts prepared by thermal decomposition
of a nickel MOF by hard X‐ray photon‐in/photon‐out spectroscopy in form of high
energy resolution fluorescence detected X‐ray absorption near edge structure spectroscopy
(HERFD‐XANES) and valence‐to‐core X‐ray emission (VtC‐XES) is presented. In contrast
to conventional X‐ray absorption spectroscopy, the increased resolution of both
methods allows a more precise phase determination of the final catalyst, which
is influenced by the conditions during MOF decomposition.
author:
- first_name: Sven
full_name: Strübbe, Sven
id: '76968'
last_name: Strübbe
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
citation:
ama: Strübbe S, Nowakowski M, Schoch R, Bauer M. High‐Resolution X‐ray Absorption
and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation Catalysts.
ChemPhysChem. Published online 2023. doi:10.1002/cphc.202300113
apa: Strübbe, S., Nowakowski, M., Schoch, R., & Bauer, M. (2023). High‐Resolution
X‐ray Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation
Catalysts. ChemPhysChem. https://doi.org/10.1002/cphc.202300113
bibtex: '@article{Strübbe_Nowakowski_Schoch_Bauer_2023, title={High‐Resolution X‐ray
Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation
Catalysts}, DOI={10.1002/cphc.202300113},
journal={ChemPhysChem}, publisher={Wiley}, author={Strübbe, Sven and Nowakowski,
Michał and Schoch, Roland and Bauer, Matthias}, year={2023} }'
chicago: Strübbe, Sven, Michał Nowakowski, Roland Schoch, and Matthias Bauer. “High‐Resolution
X‐ray Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation
Catalysts.” ChemPhysChem, 2023. https://doi.org/10.1002/cphc.202300113.
ieee: 'S. Strübbe, M. Nowakowski, R. Schoch, and M. Bauer, “High‐Resolution X‐ray
Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation
Catalysts,” ChemPhysChem, 2023, doi: 10.1002/cphc.202300113.'
mla: Strübbe, Sven, et al. “High‐Resolution X‐ray Absorption and Emission Spectroscopy
for Detailed Analysis of New CO2 Methanation Catalysts.” ChemPhysChem,
Wiley, 2023, doi:10.1002/cphc.202300113.
short: S. Strübbe, M. Nowakowski, R. Schoch, M. Bauer, ChemPhysChem (2023).
date_created: 2023-10-17T08:14:08Z
date_updated: 2025-08-15T12:53:23Z
doi: 10.1002/cphc.202300113
keyword:
- Catalysis
language:
- iso: eng
publication: ChemPhysChem
publication_identifier:
issn:
- 1439-4235
- 1439-7641
publication_status: published
publisher: Wiley
status: public
title: High‐Resolution X‐ray Absorption and Emission Spectroscopy for Detailed Analysis
of New CO2 Methanation Catalysts
type: journal_article
user_id: '48467'
year: '2023'
...
---
_id: '45480'
abstract:
- lang: eng
text: For improved and rational design of catalysts, in-depth knowledge
of their formation and structural evolution during synthesis is a key parameter.
Thus, preparation of a Ni methanation catalyst derived from...
author:
- first_name: Nils
full_name: Prinz, Nils
last_name: Prinz
- first_name: Sven
full_name: Strübbe, Sven
id: '76968'
last_name: Strübbe
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Mirijam
full_name: Zobel, Mirijam
last_name: Zobel
citation:
ama: Prinz N, Strübbe S, Bauer M, Zobel M. Structural transitions during Ni nanoparticle
formation by decomposition of a Ni-containing metal-organic framework using in-situ
total scattering. New Journal of Chemistry. Published online 2023. doi:10.1039/d3nj00493g
apa: Prinz, N., Strübbe, S., Bauer, M., & Zobel, M. (2023). Structural transitions
during Ni nanoparticle formation by decomposition of a Ni-containing metal-organic
framework using in-situ total scattering. New Journal of Chemistry. https://doi.org/10.1039/d3nj00493g
bibtex: '@article{Prinz_Strübbe_Bauer_Zobel_2023, title={Structural transitions
during Ni nanoparticle formation by decomposition of a Ni-containing metal-organic
framework using in-situ total scattering}, DOI={10.1039/d3nj00493g},
journal={New Journal of Chemistry}, publisher={Royal Society of Chemistry (RSC)},
author={Prinz, Nils and Strübbe, Sven and Bauer, Matthias and Zobel, Mirijam},
year={2023} }'
chicago: Prinz, Nils, Sven Strübbe, Matthias Bauer, and Mirijam Zobel. “Structural
Transitions during Ni Nanoparticle Formation by Decomposition of a Ni-Containing
Metal-Organic Framework Using in-Situ Total Scattering.” New Journal of Chemistry,
2023. https://doi.org/10.1039/d3nj00493g.
ieee: 'N. Prinz, S. Strübbe, M. Bauer, and M. Zobel, “Structural transitions during
Ni nanoparticle formation by decomposition of a Ni-containing metal-organic framework
using in-situ total scattering,” New Journal of Chemistry, 2023, doi: 10.1039/d3nj00493g.'
mla: Prinz, Nils, et al. “Structural Transitions during Ni Nanoparticle Formation
by Decomposition of a Ni-Containing Metal-Organic Framework Using in-Situ Total
Scattering.” New Journal of Chemistry, Royal Society of Chemistry (RSC),
2023, doi:10.1039/d3nj00493g.
short: N. Prinz, S. Strübbe, M. Bauer, M. Zobel, New Journal of Chemistry (2023).
date_created: 2023-06-06T07:33:35Z
date_updated: 2025-08-15T12:56:35Z
doi: 10.1039/d3nj00493g
keyword:
- Catalysis
language:
- iso: eng
publication: New Journal of Chemistry
publication_identifier:
issn:
- 1144-0546
- 1369-9261
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Structural transitions during Ni nanoparticle formation by decomposition of
a Ni-containing metal-organic framework using in-situ total scattering
type: journal_article
user_id: '48467'
year: '2023'
...
---
_id: '40988'
abstract:
- lang: eng
text: Increasing the metal-to-ligand charge transfer (MLCT) excited state lifetime
of polypyridine iron(II) complexes can be achieved by lowering the ligand's π*
orbital energy and by increasing the ligand field splitting. In the homo- and
heteroleptic complexes [Fe(cpmp)2]2+ (12+) and [Fe(cpmp)(ddpd)]2+ (22+) with the
tridentate ligands 6,2’’-carboxypyridyl-2,2’-methylamine-pyridyl-pyridine (cpmp)
and N,N’-dimethyl-N,N’-di-pyridin-2-ylpyridine-2,6-diamine (ddpd) two or one dipyridyl
ketone moieties provide low energy π* acceptor orbitals. A good metal-ligand orbital
overlap to increase the ligand field splitting is achieved by optimizing the octahedricity
through CO and NMe units between the coordinating pyridines which enable the formation
of six-membered chelate rings. The push-pull ligand cpmp provides intra-ligand
and ligand-to-ligand charge transfer (ILCT, LL'CT) excited states in addition
to MLCT excited states. Ground and excited state properties of 12+ and 22+ were
accessed by X-ray diffraction analyses, resonance Raman spectroscopy, (spectro)electrochemistry,
EPR spectroscopy, X-ray emission spectroscopy, static and time-resolved IR and
UV/Vis/NIR absorption spectroscopy as well as quantum chemical calculations.
author:
- first_name: Sebastian
full_name: Weber, Sebastian
last_name: Weber
- first_name: Ronny T.
full_name: Zimmermann, Ronny T.
last_name: Zimmermann
- first_name: Jens
full_name: Bremer, Jens
last_name: Bremer
- first_name: Ken L.
full_name: Abel, Ken L.
last_name: Abel
- first_name: David
full_name: Poppitz, David
last_name: Poppitz
- first_name: Nils
full_name: Prinz, Nils
last_name: Prinz
- first_name: Jan
full_name: Ilsemann, Jan
last_name: Ilsemann
- first_name: Sven
full_name: Wendholt, Sven
last_name: Wendholt
- first_name: Qingxin
full_name: Yang, Qingxin
last_name: Yang
- first_name: Reihaneh
full_name: Pashminehazar, Reihaneh
last_name: Pashminehazar
- first_name: Federico
full_name: Monaco, Federico
last_name: Monaco
- first_name: Peter
full_name: Cloetens, Peter
last_name: Cloetens
- first_name: Xiaohui
full_name: Huang, Xiaohui
last_name: Huang
- first_name: Christian
full_name: Kübel, Christian
last_name: Kübel
- first_name: Evgenii
full_name: Kondratenko, Evgenii
last_name: Kondratenko
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Marcus
full_name: Bäumer, Marcus
last_name: Bäumer
- first_name: Mirijam
full_name: Zobel, Mirijam
last_name: Zobel
- first_name: Roger
full_name: Gläser, Roger
last_name: Gläser
- first_name: Kai
full_name: Sundmacher, Kai
last_name: Sundmacher
- first_name: Thomas L.
full_name: Sheppard, Thomas L.
last_name: Sheppard
citation:
ama: 'Weber S, Zimmermann RT, Bremer J, et al. Digitization in Catalysis Research:
Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation.
ChemCatChem. 2022;14(8). doi:10.1002/cctc.202101878'
apa: 'Weber, S., Zimmermann, R. T., Bremer, J., Abel, K. L., Poppitz, D., Prinz,
N., Ilsemann, J., Wendholt, S., Yang, Q., Pashminehazar, R., Monaco, F., Cloetens,
P., Huang, X., Kübel, C., Kondratenko, E., Bauer, M., Bäumer, M., Zobel, M., Gläser,
R., … Sheppard, T. L. (2022). Digitization in Catalysis Research: Towards a Holistic
Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem,
14(8). https://doi.org/10.1002/cctc.202101878'
bibtex: '@article{Weber_Zimmermann_Bremer_Abel_Poppitz_Prinz_Ilsemann_Wendholt_Yang_Pashminehazar_et
al._2022, title={Digitization in Catalysis Research: Towards a Holistic Description
of a Ni/Al2O3 Reference Catalyst for CO2 Methanation}, volume={14}, DOI={10.1002/cctc.202101878},
number={8}, journal={ChemCatChem}, publisher={Wiley}, author={Weber, Sebastian
and Zimmermann, Ronny T. and Bremer, Jens and Abel, Ken L. and Poppitz, David
and Prinz, Nils and Ilsemann, Jan and Wendholt, Sven and Yang, Qingxin and Pashminehazar,
Reihaneh and et al.}, year={2022} }'
chicago: 'Weber, Sebastian, Ronny T. Zimmermann, Jens Bremer, Ken L. Abel, David
Poppitz, Nils Prinz, Jan Ilsemann, et al. “Digitization in Catalysis Research:
Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation.”
ChemCatChem 14, no. 8 (2022). https://doi.org/10.1002/cctc.202101878.'
ieee: 'S. Weber et al., “Digitization in Catalysis Research: Towards a Holistic
Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation,” ChemCatChem,
vol. 14, no. 8, 2022, doi: 10.1002/cctc.202101878.'
mla: 'Weber, Sebastian, et al. “Digitization in Catalysis Research: Towards a Holistic
Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation.” ChemCatChem,
vol. 14, no. 8, Wiley, 2022, doi:10.1002/cctc.202101878.'
short: S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J.
Ilsemann, S. Wendholt, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang,
C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher,
T.L. Sheppard, ChemCatChem 14 (2022).
date_created: 2023-01-30T16:25:02Z
date_updated: 2024-05-08T13:03:51Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/cctc.202101878
intvolume: ' 14'
issue: '8'
keyword:
- Inorganic Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
- Catalysis
language:
- iso: eng
publication: ChemCatChem
publication_identifier:
issn:
- 1867-3880
- 1867-3899
publication_status: published
publisher: Wiley
status: public
title: 'Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3
Reference Catalyst for CO2 Methanation'
type: journal_article
user_id: '48467'
volume: 14
year: '2022'
...
---
_id: '40985'
author:
- first_name: Johannes
full_name: Moll, Johannes
last_name: Moll
- first_name: Robert
full_name: Naumann, Robert
last_name: Naumann
- first_name: Lukas
full_name: Sorge, Lukas
last_name: Sorge
- first_name: Christoph
full_name: Förster, Christoph
last_name: Förster
- first_name: Niklas
full_name: Gessner, Niklas
last_name: Gessner
- first_name: Lukas
full_name: Burkhardt, Lukas
id: '54038'
last_name: Burkhardt
orcid: 0000-0003-0747-9811
- first_name: Naz
full_name: Ugur, Naz
last_name: Ugur
- first_name: Patrick
full_name: Nuernberger, Patrick
last_name: Nuernberger
- first_name: Wolfram
full_name: Seidel, Wolfram
last_name: Seidel
- first_name: Charusheela
full_name: Ramanan, Charusheela
last_name: Ramanan
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Katja
full_name: Heinze, Katja
last_name: Heinze
citation:
ama: Moll J, Naumann R, Sorge L, et al. Pseudo‐Octahedral Iron(II) Complexes with
Near‐Degenerate Charge Transfer and Ligand Field States at the Franck‐Condon Geometry.
Chemistry – A European Journal. 2022;28(57). doi:10.1002/chem.202201858
apa: Moll, J., Naumann, R., Sorge, L., Förster, C., Gessner, N., Burkhardt, L.,
Ugur, N., Nuernberger, P., Seidel, W., Ramanan, C., Bauer, M., & Heinze, K.
(2022). Pseudo‐Octahedral Iron(II) Complexes with Near‐Degenerate Charge Transfer
and Ligand Field States at the Franck‐Condon Geometry. Chemistry – A European
Journal, 28(57). https://doi.org/10.1002/chem.202201858
bibtex: '@article{Moll_Naumann_Sorge_Förster_Gessner_Burkhardt_Ugur_Nuernberger_Seidel_Ramanan_et
al._2022, title={Pseudo‐Octahedral Iron(II) Complexes with Near‐Degenerate Charge
Transfer and Ligand Field States at the Franck‐Condon Geometry}, volume={28},
DOI={10.1002/chem.202201858},
number={57}, journal={Chemistry – A European Journal}, publisher={Wiley}, author={Moll,
Johannes and Naumann, Robert and Sorge, Lukas and Förster, Christoph and Gessner,
Niklas and Burkhardt, Lukas and Ugur, Naz and Nuernberger, Patrick and Seidel,
Wolfram and Ramanan, Charusheela and et al.}, year={2022} }'
chicago: Moll, Johannes, Robert Naumann, Lukas Sorge, Christoph Förster, Niklas
Gessner, Lukas Burkhardt, Naz Ugur, et al. “Pseudo‐Octahedral Iron(II) Complexes
with Near‐Degenerate Charge Transfer and Ligand Field States at the Franck‐Condon
Geometry.” Chemistry – A European Journal 28, no. 57 (2022). https://doi.org/10.1002/chem.202201858.
ieee: 'J. Moll et al., “Pseudo‐Octahedral Iron(II) Complexes with Near‐Degenerate
Charge Transfer and Ligand Field States at the Franck‐Condon Geometry,” Chemistry
– A European Journal, vol. 28, no. 57, 2022, doi: 10.1002/chem.202201858.'
mla: Moll, Johannes, et al. “Pseudo‐Octahedral Iron(II) Complexes with Near‐Degenerate
Charge Transfer and Ligand Field States at the Franck‐Condon Geometry.” Chemistry
– A European Journal, vol. 28, no. 57, Wiley, 2022, doi:10.1002/chem.202201858.
short: J. Moll, R. Naumann, L. Sorge, C. Förster, N. Gessner, L. Burkhardt, N. Ugur,
P. Nuernberger, W. Seidel, C. Ramanan, M. Bauer, K. Heinze, Chemistry – A European
Journal 28 (2022).
date_created: 2023-01-30T16:23:37Z
date_updated: 2023-01-31T08:00:32Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/chem.202201858
intvolume: ' 28'
issue: '57'
keyword:
- General Chemistry
- Catalysis
- Organic Chemistry
language:
- iso: eng
publication: Chemistry – A European Journal
publication_identifier:
issn:
- 0947-6539
- 1521-3765
publication_status: published
publisher: Wiley
status: public
title: Pseudo‐Octahedral Iron(II) Complexes with Near‐Degenerate Charge Transfer and
Ligand Field States at the Franck‐Condon Geometry
type: journal_article
user_id: '48467'
volume: 28
year: '2022'
...
---
_id: '40987'
abstract:
- lang: eng
text: Catalysts.
2022;12(6). doi:10.3390/catal12060675
apa: Schlicher, S., Prinz, N., Bürger, J., Omlor, A., Singer, C., Zobel, M., Schoch,
R., Lindner, J. K. N., Schünemann, V., Kureti, S., & Bauer, M. (2022). Quality
or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides
for CO Oxidation. Catalysts, 12(6), Article 675. https://doi.org/10.3390/catal12060675
bibtex: '@article{Schlicher_Prinz_Bürger_Omlor_Singer_Zobel_Schoch_Lindner_Schünemann_Kureti_et
al._2022, title={Quality or Quantity? How Structural Parameters Affect Catalytic
Activity of Iron Oxides for CO Oxidation}, volume={12}, DOI={10.3390/catal12060675},
number={6675}, journal={Catalysts}, publisher={MDPI AG}, author={Schlicher, Steffen
and Prinz, Nils and Bürger, Julius and Omlor, Andreas and Singer, Christian and
Zobel, Mirijam and Schoch, Roland and Lindner, Jörg K. N. and Schünemann, Volker
and Kureti, Sven and et al.}, year={2022} }'
chicago: Schlicher, Steffen, Nils Prinz, Julius Bürger, Andreas Omlor, Christian
Singer, Mirijam Zobel, Roland Schoch, et al. “Quality or Quantity? How Structural
Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation.” Catalysts
12, no. 6 (2022). https://doi.org/10.3390/catal12060675.
ieee: 'S. Schlicher et al., “Quality or Quantity? How Structural Parameters
Affect Catalytic Activity of Iron Oxides for CO Oxidation,” Catalysts,
vol. 12, no. 6, Art. no. 675, 2022, doi: 10.3390/catal12060675.'
mla: Schlicher, Steffen, et al. “Quality or Quantity? How Structural Parameters
Affect Catalytic Activity of Iron Oxides for CO Oxidation.” Catalysts,
vol. 12, no. 6, 675, MDPI AG, 2022, doi:10.3390/catal12060675.
short: S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch,
J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).
date_created: 2023-01-30T16:24:41Z
date_updated: 2023-08-17T06:57:31Z
department:
- _id: '35'
- _id: '306'
- _id: '15'
doi: 10.3390/catal12060675
intvolume: ' 12'
issue: '6'
keyword:
- Physical and Theoretical Chemistry
- Catalysis
- General Environmental Science
- Key
language:
- iso: eng
publication: Catalysts
publication_identifier:
issn:
- 2073-4344
publication_status: published
publisher: MDPI AG
status: public
title: Quality or Quantity? How Structural Parameters Affect Catalytic Activity of
Iron Oxides for CO Oxidation
type: journal_article
user_id: '14931'
volume: 12
year: '2022'
...
---
_id: '41001'
abstract:
- lang: eng
text: For entropic reasons, the synthesis of macrocycles via olefin ring-closing
metathesis (RCM) is impeded by competing acyclic diene metathesis (ADMET) oligomerization.
With cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) complexes
confined in tailored ordered mesoporous silica, RCM can be run with macrocyclization
selectivities up to 98% and high substrate concentrations up to 0.1 M. Molecular
dynamics simulations show that the high conversions are a direct result of the
proximity between the surface-bound catalyst, proven by extended X-ray absorption
spectroscopy, and the surface-located substrates. Back-diffusion of the macrocycles
decreases with decreasing pore diameter of the silica and is responsible for the
high macrocyclization efficiency. Also, Z-selectivity increases with decreasing
pore diameter and increasing Tolman electronic parameter of the NHC. Running reactions
at different concentrations allows for identifying the optimum substrate concentration
for each material and substrate combination.
article_type: original
author:
- first_name: Felix
full_name: Ziegler, Felix
last_name: Ziegler
- first_name: Hamzeh
full_name: Kraus, Hamzeh
last_name: Kraus
- first_name: Mathis J.
full_name: Benedikter, Mathis J.
last_name: Benedikter
- first_name: Dongren
full_name: Wang, Dongren
last_name: Wang
- first_name: Johanna R.
full_name: Bruckner, Johanna R.
last_name: Bruckner
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Kilian
full_name: Weißer, Kilian
last_name: Weißer
- first_name: Helena
full_name: Solodenko, Helena
last_name: Solodenko
- first_name: Guido
full_name: Schmitz, Guido
last_name: Schmitz
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Niels
full_name: Hansen, Niels
last_name: Hansen
- first_name: Michael R.
full_name: Buchmeiser, Michael R.
last_name: Buchmeiser
citation:
ama: Ziegler F, Kraus H, Benedikter MJ, et al. Confinement Effects for Efficient
Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene
N-Heterocyclic Carbene Complexes. ACS Catalysis. 2021;11(18):11570-11578.
doi:10.1021/acscatal.1c03057
apa: Ziegler, F., Kraus, H., Benedikter, M. J., Wang, D., Bruckner, J. R., Nowakowski,
M., Weißer, K., Solodenko, H., Schmitz, G., Bauer, M., Hansen, N., & Buchmeiser,
M. R. (2021). Confinement Effects for Efficient Macrocyclization Reactions with
Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.
ACS Catalysis, 11(18), 11570–11578. https://doi.org/10.1021/acscatal.1c03057
bibtex: '@article{Ziegler_Kraus_Benedikter_Wang_Bruckner_Nowakowski_Weißer_Solodenko_Schmitz_Bauer_et
al._2021, title={Confinement Effects for Efficient Macrocyclization Reactions
with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene
Complexes}, volume={11}, DOI={10.1021/acscatal.1c03057},
number={18}, journal={ACS Catalysis}, publisher={American Chemical Society (ACS)},
author={Ziegler, Felix and Kraus, Hamzeh and Benedikter, Mathis J. and Wang, Dongren
and Bruckner, Johanna R. and Nowakowski, Michał and Weißer, Kilian and Solodenko,
Helena and Schmitz, Guido and Bauer, Matthias and et al.}, year={2021}, pages={11570–11578}
}'
chicago: 'Ziegler, Felix, Hamzeh Kraus, Mathis J. Benedikter, Dongren Wang, Johanna
R. Bruckner, Michał Nowakowski, Kilian Weißer, et al. “Confinement Effects for
Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido
Alkylidene N-Heterocyclic Carbene Complexes.” ACS Catalysis 11,
no. 18 (2021): 11570–78. https://doi.org/10.1021/acscatal.1c03057.'
ieee: 'F. Ziegler et al., “Confinement Effects for Efficient Macrocyclization
Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic
Carbene Complexes,” ACS Catalysis, vol. 11, no. 18, pp. 11570–11578, 2021,
doi: 10.1021/acscatal.1c03057.'
mla: Ziegler, Felix, et al. “Confinement Effects for Efficient Macrocyclization
Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic
Carbene Complexes.” ACS Catalysis, vol. 11, no. 18, American Chemical Society
(ACS), 2021, pp. 11570–78, doi:10.1021/acscatal.1c03057.
short: F. Ziegler, H. Kraus, M.J. Benedikter, D. Wang, J.R. Bruckner, M. Nowakowski,
K. Weißer, H. Solodenko, G. Schmitz, M. Bauer, N. Hansen, M.R. Buchmeiser, ACS
Catalysis 11 (2021) 11570–11578.
date_created: 2023-01-30T16:49:07Z
date_updated: 2024-05-07T11:44:19Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acscatal.1c03057
intvolume: ' 11'
issue: '18'
keyword:
- Catalysis
- General Chemistry
language:
- iso: eng
page: 11570-11578
publication: ACS Catalysis
publication_identifier:
issn:
- 2155-5435
- 2155-5435
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Confinement Effects for Efficient Macrocyclization Reactions with Supported
Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes
type: journal_article
user_id: '48467'
volume: 11
year: '2021'
...
---
_id: '40999'
abstract:
- lang: eng
text: Rh(I) NHC and Rh(III) Cp* NHC complexes (Cp*=pentamethylcyclopentadienyl,
NHC=N-heterocyclic carbene=pyrid-2-ylimidazol-2-ylidene (Py−Im), thiophen-2-ylimidazol-2-ylidene)
are presented. Selected catalysts were selectively immobilized inside the mesopores
of SBA-15 with average pore diameters of 5.0 and 6.2 nm. Together with their homogenous
progenitors, the immobilized catalysts were used in the hydrosilylation of terminal
alkynes. For aromatic alkynes, both the neutral and cationic Rh(I) complexes showed
excellent reactivity with exclusive formation of the β(E)-isomer. For aliphatic
alkynes, however, selectivity of the Rh(I) complexes was low. By contrast, the
neutral and cationic Rh(III) Cp* NHC complexes proved to be highly regio- and
stereoselective catalysts, allowing for the formation of the thermodynamically
less stable β-(Z)-vinylsilane isomers at room temperature. Notably, the SBA-15
immobilized Rh(I) catalysts, in which the pore walls provide an additional confinement,
showed excellent β-(Z)-selectivity in the hydrosilylation of aliphatic alkynes,
too. Also, in the case of 4-aminophenylacetylene, selective formation of the β(Z)-isomer
was observed with a neutral SBA-15 supported Rh(III) Cp* NHC complex but not with
its homogenous counterpart. These are the first examples of high β(Z)-selectivity
in the hydrosilylation of alkynes by confinement generated upon immobilization
inside mesoporous silica.
article_type: original
author:
- first_name: Pradeep K. R.
full_name: Panyam, Pradeep K. R.
last_name: Panyam
- first_name: Boshra
full_name: Atwi, Boshra
last_name: Atwi
- first_name: Felix
full_name: Ziegler, Felix
last_name: Ziegler
- first_name: Wolfgang
full_name: Frey, Wolfgang
last_name: Frey
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Michael R.
full_name: Buchmeiser, Michael R.
last_name: Buchmeiser
citation:
ama: 'Panyam PKR, Atwi B, Ziegler F, et al. Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes:
Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity
in the Hydrosilylation of Alkynes. Chemistry – A European Journal. 2021;27(68):17220-17229.
doi:10.1002/chem.202103099'
apa: 'Panyam, P. K. R., Atwi, B., Ziegler, F., Frey, W., Nowakowski, M., Bauer,
M., & Buchmeiser, M. R. (2021). Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes:
Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity
in the Hydrosilylation of Alkynes. Chemistry – A European Journal, 27(68),
17220–17229. https://doi.org/10.1002/chem.202103099'
bibtex: '@article{Panyam_Atwi_Ziegler_Frey_Nowakowski_Bauer_Buchmeiser_2021, title={Rh(I)/(III)‐N‐Heterocyclic
Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio‐
and Stereoselectivity in the Hydrosilylation of Alkynes}, volume={27}, DOI={10.1002/chem.202103099}, number={68},
journal={Chemistry – A European Journal}, publisher={Wiley}, author={Panyam, Pradeep
K. R. and Atwi, Boshra and Ziegler, Felix and Frey, Wolfgang and Nowakowski, Michał
and Bauer, Matthias and Buchmeiser, Michael R.}, year={2021}, pages={17220–17229}
}'
chicago: 'Panyam, Pradeep K. R., Boshra Atwi, Felix Ziegler, Wolfgang Frey, Michał
Nowakowski, Matthias Bauer, and Michael R. Buchmeiser. “Rh(I)/(III)‐N‐Heterocyclic
Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio‐
and Stereoselectivity in the Hydrosilylation of Alkynes.” Chemistry – A European
Journal 27, no. 68 (2021): 17220–29. https://doi.org/10.1002/chem.202103099.'
ieee: 'P. K. R. Panyam et al., “Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes:
Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity
in the Hydrosilylation of Alkynes,” Chemistry – A European Journal, vol.
27, no. 68, pp. 17220–17229, 2021, doi: 10.1002/chem.202103099.'
mla: 'Panyam, Pradeep K. R., et al. “Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes:
Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity
in the Hydrosilylation of Alkynes.” Chemistry – A European Journal, vol.
27, no. 68, Wiley, 2021, pp. 17220–29, doi:10.1002/chem.202103099.'
short: P.K.R. Panyam, B. Atwi, F. Ziegler, W. Frey, M. Nowakowski, M. Bauer, M.R.
Buchmeiser, Chemistry – A European Journal 27 (2021) 17220–17229.
date_created: 2023-01-30T16:48:41Z
date_updated: 2024-05-07T11:43:40Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/chem.202103099
intvolume: ' 27'
issue: '68'
keyword:
- General Chemistry
- Catalysis
- Organic Chemistry
language:
- iso: eng
page: 17220-17229
publication: Chemistry – A European Journal
publication_identifier:
issn:
- 0947-6539
- 1521-3765
publication_status: published
publisher: Wiley
status: public
title: 'Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes: Effect of Steric Confinement
Upon Immobilization on Regio‐ and Stereoselectivity in the Hydrosilylation of Alkynes'
type: journal_article
user_id: '48467'
volume: 27
year: '2021'
...
---
_id: '30216'
author:
- first_name: Marina
full_name: Huber-Gedert, Marina
id: '38352'
last_name: Huber-Gedert
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Ahmet
full_name: Kertmen, Ahmet
last_name: Kertmen
- first_name: Lukas
full_name: Burkhardt, Lukas
id: '54038'
last_name: Burkhardt
orcid: 0000-0003-0747-9811
- first_name: Natalia
full_name: Lindner, Natalia
last_name: Lindner
- first_name: Roland
full_name: Schoch, Roland
last_name: Schoch
- first_name: Regine
full_name: Herbst‐Irmer, Regine
last_name: Herbst‐Irmer
- first_name: Adam
full_name: Neuba, Adam
last_name: Neuba
- first_name: Lennart
full_name: Schmitz, Lennart
last_name: Schmitz
- first_name: Tae‐Kyu
full_name: Choi, Tae‐Kyu
last_name: Choi
- first_name: Jacek
full_name: Kubicki, Jacek
last_name: Kubicki
- first_name: Wojciech
full_name: Gawelda, Wojciech
last_name: Gawelda
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
citation:
ama: Huber-Gedert M, Nowakowski M, Kertmen A, et al. Fundamental Characterization,
Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad. Chemistry
– A European Journal. 2021;27(38):9905-9918. doi:10.1002/chem.202100766
apa: Huber-Gedert, M., Nowakowski, M., Kertmen, A., Burkhardt, L., Lindner, N.,
Schoch, R., Herbst‐Irmer, R., Neuba, A., Schmitz, L., Choi, T., Kubicki, J., Gawelda,
W., & Bauer, M. (2021). Fundamental Characterization, Photophysics and Photocatalysis
of a Base Metal Iron(II)‐Cobalt(III) Dyad. Chemistry – A European Journal,
27(38), 9905–9918. https://doi.org/10.1002/chem.202100766
bibtex: '@article{Huber-Gedert_Nowakowski_Kertmen_Burkhardt_Lindner_Schoch_Herbst‐Irmer_Neuba_Schmitz_Choi_et
al._2021, title={Fundamental Characterization, Photophysics and Photocatalysis
of a Base Metal Iron(II)‐Cobalt(III) Dyad}, volume={27}, DOI={10.1002/chem.202100766},
number={38}, journal={Chemistry – A European Journal}, publisher={Wiley}, author={Huber-Gedert,
Marina and Nowakowski, Michał and Kertmen, Ahmet and Burkhardt, Lukas and Lindner,
Natalia and Schoch, Roland and Herbst‐Irmer, Regine and Neuba, Adam and Schmitz,
Lennart and Choi, Tae‐Kyu and et al.}, year={2021}, pages={9905–9918} }'
chicago: 'Huber-Gedert, Marina, Michał Nowakowski, Ahmet Kertmen, Lukas Burkhardt,
Natalia Lindner, Roland Schoch, Regine Herbst‐Irmer, et al. “Fundamental Characterization,
Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad.” Chemistry
– A European Journal 27, no. 38 (2021): 9905–18. https://doi.org/10.1002/chem.202100766.'
ieee: 'M. Huber-Gedert et al., “Fundamental Characterization, Photophysics
and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad,” Chemistry –
A European Journal, vol. 27, no. 38, pp. 9905–9918, 2021, doi: 10.1002/chem.202100766.'
mla: Huber-Gedert, Marina, et al. “Fundamental Characterization, Photophysics and
Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad.” Chemistry – A European
Journal, vol. 27, no. 38, Wiley, 2021, pp. 9905–18, doi:10.1002/chem.202100766.
short: M. Huber-Gedert, M. Nowakowski, A. Kertmen, L. Burkhardt, N. Lindner, R.
Schoch, R. Herbst‐Irmer, A. Neuba, L. Schmitz, T. Choi, J. Kubicki, W. Gawelda,
M. Bauer, Chemistry – A European Journal 27 (2021) 9905–9918.
date_created: 2022-03-09T08:20:58Z
date_updated: 2024-05-07T11:44:08Z
department:
- _id: '306'
doi: 10.1002/chem.202100766
intvolume: ' 27'
issue: '38'
keyword:
- Photocatalytic Hydrogen Production
- Catalysis
- Inorganic Chemistry
language:
- iso: eng
page: 9905-9918
publication: Chemistry – A European Journal
publication_identifier:
issn:
- 0947-6539
- 1521-3765
publication_status: published
publisher: Wiley
status: public
title: Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal
Iron(II)‐Cobalt(III) Dyad
type: journal_article
user_id: '48467'
volume: 27
year: '2021'
...
---
_id: '40998'
abstract:
- lang: eng
text: Covalent organic frameworks (COFs) offer vast structural and chemical diversity
enabling a wide and growing range of applications. While COFs are well-established
as heterogeneous catalysts, so far, their high and ordered porosity has scarcely
been utilized to its full potential when it comes to spatially confined reactions
in COF pores to alter the outcome of reactions. Here, we present a highly porous
and crystalline, large-pore COF as catalytic support in α,ω-diene ring-closing
metathesis reactions, leading to increased macrocyclization selectivity. COF pore-wall
modification by immobilization of a Grubbs-Hoveyda-type catalyst via a mild silylation
reaction provides a molecularly precise heterogeneous olefin metathesis catalyst.
An increased macro(mono)cyclization (MMC) selectivity over oligomerization (O)
for the heterogeneous COF-catalyst (MMC:O=1.35) of up to 51 % compared to the
homogeneous catalyst (MMC:O=0.90) was observed along with a substrate-size dependency
in selectivity, pointing to diffusion limitations induced by the pore confinement.
article_type: original
author:
- first_name: Sebastian T.
full_name: Emmerling, Sebastian T.
last_name: Emmerling
- first_name: Felix
full_name: Ziegler, Felix
last_name: Ziegler
- first_name: Felix R.
full_name: Fischer, Felix R.
last_name: Fischer
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Bernd
full_name: Plietker, Bernd
last_name: Plietker
- first_name: Michael R.
full_name: Buchmeiser, Michael R.
last_name: Buchmeiser
- first_name: Bettina V.
full_name: Lotsch, Bettina V.
last_name: Lotsch
citation:
ama: 'Emmerling ST, Ziegler F, Fischer FR, et al. Olefin Metathesis in Confinement:
Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity.
Chemistry – A European Journal. 2021;28(8). doi:10.1002/chem.202104108'
apa: 'Emmerling, S. T., Ziegler, F., Fischer, F. R., Schoch, R., Bauer, M., Plietker,
B., Buchmeiser, M. R., & Lotsch, B. V. (2021). Olefin Metathesis in Confinement:
Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity.
Chemistry – A European Journal, 28(8). https://doi.org/10.1002/chem.202104108'
bibtex: '@article{Emmerling_Ziegler_Fischer_Schoch_Bauer_Plietker_Buchmeiser_Lotsch_2021,
title={Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds
for Increased Macrocyclization Selectivity}, volume={28}, DOI={10.1002/chem.202104108},
number={8}, journal={Chemistry – A European Journal}, publisher={Wiley}, author={Emmerling,
Sebastian T. and Ziegler, Felix and Fischer, Felix R. and Schoch, Roland and Bauer,
Matthias and Plietker, Bernd and Buchmeiser, Michael R. and Lotsch, Bettina V.},
year={2021} }'
chicago: 'Emmerling, Sebastian T., Felix Ziegler, Felix R. Fischer, Roland Schoch,
Matthias Bauer, Bernd Plietker, Michael R. Buchmeiser, and Bettina V. Lotsch.
“Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds
for Increased Macrocyclization Selectivity.” Chemistry – A European Journal
28, no. 8 (2021). https://doi.org/10.1002/chem.202104108.'
ieee: 'S. T. Emmerling et al., “Olefin Metathesis in Confinement: Towards
Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity,”
Chemistry – A European Journal, vol. 28, no. 8, 2021, doi: 10.1002/chem.202104108.'
mla: 'Emmerling, Sebastian T., et al. “Olefin Metathesis in Confinement: Towards
Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity.”
Chemistry – A European Journal, vol. 28, no. 8, Wiley, 2021, doi:10.1002/chem.202104108.'
short: S.T. Emmerling, F. Ziegler, F.R. Fischer, R. Schoch, M. Bauer, B. Plietker,
M.R. Buchmeiser, B.V. Lotsch, Chemistry – A European Journal 28 (2021).
date_created: 2023-01-30T16:48:22Z
date_updated: 2023-01-31T08:05:07Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/chem.202104108
intvolume: ' 28'
issue: '8'
keyword:
- General Chemistry
- Catalysis
- Organic Chemistry
language:
- iso: eng
publication: Chemistry – A European Journal
publication_identifier:
issn:
- 0947-6539
- 1521-3765
publication_status: published
publisher: Wiley
status: public
title: 'Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds
for Increased Macrocyclization Selectivity'
type: journal_article
user_id: '48467'
volume: 28
year: '2021'
...
---
_id: '41003'
abstract:
- lang: eng
text: Combining strong σ-donating N-heterocyclic carbene ligands and π-accepting
pyridine ligands with a high octahedricity in rigid iron(II) complexes increases
the 3MLCT lifetime from 0.15 ps in the prototypical [Fe(tpy)2]2+ complex to 9.2
ps in [Fe(dpmi)2]2+12+. The tripodal CNN ligand dpmi (di(pyridine-2-yl)(3-methylimidazol-2-yl)methane)
forms six-membered chelate rings with the iron(II) centre leading to close to
90° bite angles and enhanced iron-ligand orbital overlap
article_type: original
author:
- first_name: Thomas
full_name: Reuter, Thomas
last_name: Reuter
- first_name: Ayla
full_name: Kruse, Ayla
last_name: Kruse
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Stefan
full_name: Lochbrunner, Stefan
last_name: Lochbrunner
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Katja
full_name: Heinze, Katja
last_name: Heinze
citation:
ama: Reuter T, Kruse A, Schoch R, Lochbrunner S, Bauer M, Heinze K. Higher MLCT
lifetime of carbene iron(<scp>ii</scp>) complexes by chelate ring
expansion. Chemical Communications. 2021;57(61):7541-7544. doi:10.1039/d1cc02173g
apa: Reuter, T., Kruse, A., Schoch, R., Lochbrunner, S., Bauer, M., & Heinze,
K. (2021). Higher MLCT lifetime of carbene iron(<scp>ii</scp>)
complexes by chelate ring expansion. Chemical Communications, 57(61),
7541–7544. https://doi.org/10.1039/d1cc02173g
bibtex: '@article{Reuter_Kruse_Schoch_Lochbrunner_Bauer_Heinze_2021, title={Higher
MLCT lifetime of carbene iron(<scp>ii</scp>) complexes by chelate
ring expansion}, volume={57}, DOI={10.1039/d1cc02173g},
number={61}, journal={Chemical Communications}, publisher={Royal Society of Chemistry
(RSC)}, author={Reuter, Thomas and Kruse, Ayla and Schoch, Roland and Lochbrunner,
Stefan and Bauer, Matthias and Heinze, Katja}, year={2021}, pages={7541–7544}
}'
chicago: 'Reuter, Thomas, Ayla Kruse, Roland Schoch, Stefan Lochbrunner, Matthias
Bauer, and Katja Heinze. “Higher MLCT Lifetime of Carbene Iron(<scp>ii</Scp>)
Complexes by Chelate Ring Expansion.” Chemical Communications 57, no. 61
(2021): 7541–44. https://doi.org/10.1039/d1cc02173g.'
ieee: 'T. Reuter, A. Kruse, R. Schoch, S. Lochbrunner, M. Bauer, and K. Heinze,
“Higher MLCT lifetime of carbene iron(<scp>ii</scp>) complexes
by chelate ring expansion,” Chemical Communications, vol. 57, no. 61, pp.
7541–7544, 2021, doi: 10.1039/d1cc02173g.'
mla: Reuter, Thomas, et al. “Higher MLCT Lifetime of Carbene Iron(<scp>ii</Scp>)
Complexes by Chelate Ring Expansion.” Chemical Communications, vol. 57,
no. 61, Royal Society of Chemistry (RSC), 2021, pp. 7541–44, doi:10.1039/d1cc02173g.
short: T. Reuter, A. Kruse, R. Schoch, S. Lochbrunner, M. Bauer, K. Heinze, Chemical
Communications 57 (2021) 7541–7544.
date_created: 2023-01-30T16:49:33Z
date_updated: 2023-01-31T08:06:16Z
department:
- _id: '35'
- _id: '306'
doi: 10.1039/d1cc02173g
intvolume: ' 57'
issue: '61'
keyword:
- Materials Chemistry
- Metals and Alloys
- Surfaces
- Coatings and Films
- General Chemistry
- Ceramics and Composites
- Electronic
- Optical and Magnetic Materials
- Catalysis
language:
- iso: eng
page: 7541-7544
publication: Chemical Communications
publication_identifier:
issn:
- 1359-7345
- 1364-548X
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Higher MLCT lifetime of carbene iron(ii) complexes by chelate ring
expansion
type: journal_article
user_id: '48467'
volume: 57
year: '2021'
...
---
_id: '41000'
abstract:
- lang: eng
text: Metal-catalyzed C−H activations are environmentally and economically attractive
synthetic strategies for the construction of functional molecules as they obviate
the need for pre-functionalized substrates and minimize waste generation. Great
challenges reside in the control of selectivities, the utilization of unbiased
hydrocarbons, and the operation of atom-economical dehydrocoupling mechanisms.
An especially mild borylation of benzylic CH bonds was developed with the ligand-free
pre-catalyst Co[N(SiMe3)2]2 and the bench-stable and inexpensive borylation reagent
B2pin2 that produces H2 as the only by-product. A full set of kinetic, spectroscopic,
and preparative mechanistic studies are indicative of a tandem catalysis mechanism
of CH-borylation and dehydrocoupling via molecular CoI catalysts.
article_type: original
author:
- first_name: Pradip
full_name: Ghosh, Pradip
last_name: Ghosh
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Axel
full_name: Jacobi von Wangelin, Axel
last_name: Jacobi von Wangelin
citation:
ama: Ghosh P, Schoch R, Bauer M, Jacobi von Wangelin A. Selective Benzylic CH‐Borylations
by Tandem Cobalt Catalysis. Angewandte Chemie International Edition. 2021;61(1).
doi:10.1002/anie.202110821
apa: Ghosh, P., Schoch, R., Bauer, M., & Jacobi von Wangelin, A. (2021). Selective
Benzylic CH‐Borylations by Tandem Cobalt Catalysis. Angewandte Chemie International
Edition, 61(1). https://doi.org/10.1002/anie.202110821
bibtex: '@article{Ghosh_Schoch_Bauer_Jacobi von Wangelin_2021, title={Selective
Benzylic CH‐Borylations by Tandem Cobalt Catalysis}, volume={61}, DOI={10.1002/anie.202110821},
number={1}, journal={Angewandte Chemie International Edition}, publisher={Wiley},
author={Ghosh, Pradip and Schoch, Roland and Bauer, Matthias and Jacobi von Wangelin,
Axel}, year={2021} }'
chicago: Ghosh, Pradip, Roland Schoch, Matthias Bauer, and Axel Jacobi von Wangelin.
“Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis.” Angewandte
Chemie International Edition 61, no. 1 (2021). https://doi.org/10.1002/anie.202110821.
ieee: 'P. Ghosh, R. Schoch, M. Bauer, and A. Jacobi von Wangelin, “Selective Benzylic
CH‐Borylations by Tandem Cobalt Catalysis,” Angewandte Chemie International
Edition, vol. 61, no. 1, 2021, doi: 10.1002/anie.202110821.'
mla: Ghosh, Pradip, et al. “Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis.”
Angewandte Chemie International Edition, vol. 61, no. 1, Wiley, 2021, doi:10.1002/anie.202110821.
short: P. Ghosh, R. Schoch, M. Bauer, A. Jacobi von Wangelin, Angewandte Chemie
International Edition 61 (2021).
date_created: 2023-01-30T16:48:53Z
date_updated: 2023-01-31T08:05:26Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/anie.202110821
intvolume: ' 61'
issue: '1'
keyword:
- General Chemistry
- Catalysis
language:
- iso: eng
publication: Angewandte Chemie International Edition
publication_identifier:
issn:
- 1433-7851
- 1521-3773
publication_status: published
publisher: Wiley
status: public
title: Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis
type: journal_article
user_id: '48467'
volume: 61
year: '2021'
...
---
_id: '41010'
abstract:
- lang: eng
text: We present the η3-coordination of the 2-phosphaethynthiolate anion in the
complex (PN)2La(SCP) (2) [PN=N-(2-(diisopropylphosphanyl)-4-methylphenyl)-2,4,6-trimethylanilide)].
Structural comparison with dinuclear thiocyanate-bridged (PN)2La(μ-1,3-SCN)2La(PN)2
(3) and azide-bridged (PN)2La(μ-1,3-N3)2La(PN)2 (4) complexes indicates that the
[SCP]− coordination mode is mainly governed by electronic, rather than steric
factors. Quantum mechanical investigations reveal large contributions of the antibonding
π*-orbital of the [SCP]− ligand to the LUMO of complex 2, rendering it the ideal
precursor for the first functionalization of the [SCP]− anion. Complex 2 was therefore
reacted with CAACs which induced a selective rearrangement of the [SCP]− ligand
to form the first CAAC stabilized group 15–group 16 fulminate-type complexes (PN)2La{SPC(RCAAC)}
(5 a,b, R=Ad, Me). A detailed reaction mechanism for the SCP-to-SPC isomerization
is proposed based on DFT calculations.
article_type: original
author:
- first_name: Fabian A.
full_name: Watt, Fabian A.
last_name: Watt
- first_name: Lukas
full_name: Burkhardt, Lukas
last_name: Burkhardt
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Stefan
full_name: Mitzinger, Stefan
last_name: Mitzinger
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Florian
full_name: Weigend, Florian
last_name: Weigend
- first_name: Jose M.
full_name: Goicoechea, Jose M.
last_name: Goicoechea
- first_name: Frank
full_name: Tambornino, Frank
last_name: Tambornino
- first_name: Stephan
full_name: Hohloch, Stephan
last_name: Hohloch
citation:
ama: Watt FA, Burkhardt L, Schoch R, et al. η 3
‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**.
Angewandte Chemie International Edition. 2021;60(17):9534-9539. doi:10.1002/anie.202100559
apa: Watt, F. A., Burkhardt, L., Schoch, R., Mitzinger, S., Bauer, M., Weigend,
F., Goicoechea, J. M., Tambornino, F., & Hohloch, S. (2021). η
3 ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate
Anion at Lanthanum(III)**. Angewandte Chemie International Edition, 60(17),
9534–9539. https://doi.org/10.1002/anie.202100559
bibtex: '@article{Watt_Burkhardt_Schoch_Mitzinger_Bauer_Weigend_Goicoechea_Tambornino_Hohloch_2021,
title={η 3 ‐Coordination and Functionalization
of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**}, volume={60}, DOI={10.1002/anie.202100559}, number={17},
journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Watt,
Fabian A. and Burkhardt, Lukas and Schoch, Roland and Mitzinger, Stefan and Bauer,
Matthias and Weigend, Florian and Goicoechea, Jose M. and Tambornino, Frank and
Hohloch, Stephan}, year={2021}, pages={9534–9539} }'
chicago: 'Watt, Fabian A., Lukas Burkhardt, Roland Schoch, Stefan Mitzinger, Matthias
Bauer, Florian Weigend, Jose M. Goicoechea, Frank Tambornino, and Stephan Hohloch.
“η 3 ‐Coordination and Functionalization of the
2‐Phosphaethynthiolate Anion at Lanthanum(III)**.” Angewandte Chemie International
Edition 60, no. 17 (2021): 9534–39. https://doi.org/10.1002/anie.202100559.'
ieee: 'F. A. Watt et al., “η 3 ‐Coordination
and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**,”
Angewandte Chemie International Edition, vol. 60, no. 17, pp. 9534–9539,
2021, doi: 10.1002/anie.202100559.'
mla: Watt, Fabian A., et al. “η 3 ‐Coordination
and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**.”
Angewandte Chemie International Edition, vol. 60, no. 17, Wiley, 2021,
pp. 9534–39, doi:10.1002/anie.202100559.
short: F.A. Watt, L. Burkhardt, R. Schoch, S. Mitzinger, M. Bauer, F. Weigend, J.M.
Goicoechea, F. Tambornino, S. Hohloch, Angewandte Chemie International Edition
60 (2021) 9534–9539.
date_created: 2023-01-30T17:00:21Z
date_updated: 2023-01-31T08:06:50Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/anie.202100559
intvolume: ' 60'
issue: '17'
keyword:
- General Chemistry
- Catalysis
language:
- iso: eng
page: 9534-9539
publication: Angewandte Chemie International Edition
publication_identifier:
issn:
- 1433-7851
- 1521-3773
publication_status: published
publisher: Wiley
status: public
title: η 3 ‐Coordination and Functionalization of
the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**
type: journal_article
user_id: '48467'
volume: 60
year: '2021'
...
---
_id: '41007'
abstract:
- lang: eng
text: Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine
and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new
insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+
pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime
after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses
a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with
four mesoionic carbenes.
article_type: original
author:
- first_name: Philipp
full_name: Dierks, Philipp
last_name: Dierks
- first_name: Ayla
full_name: Kruse, Ayla
last_name: Kruse
- first_name: Olga S.
full_name: Bokareva, Olga S.
last_name: Bokareva
- first_name: Mohammed J.
full_name: Al-Marri, Mohammed J.
last_name: Al-Marri
- first_name: Jens
full_name: Kalmbach, Jens
last_name: Kalmbach
- first_name: Marc
full_name: Baltrun, Marc
last_name: Baltrun
- first_name: Adam
full_name: Neuba, Adam
last_name: Neuba
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Stephan
full_name: Hohloch, Stephan
last_name: Hohloch
- first_name: Katja
full_name: Heinze, Katja
last_name: Heinze
- first_name: Michael
full_name: Seitz, Michael
last_name: Seitz
- first_name: Oliver
full_name: Kühn, Oliver
last_name: Kühn
- first_name: Stefan
full_name: Lochbrunner, Stefan
last_name: Lochbrunner
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
citation:
ama: Dierks P, Kruse A, Bokareva OS, et al. Distinct photodynamics of κ-N and κ-C
pseudoisomeric iron(ii) complexes. Chemical Communications. 2021;57(54):6640-6643.
doi:10.1039/d1cc01716k
apa: Dierks, P., Kruse, A., Bokareva, O. S., Al-Marri, M. J., Kalmbach, J., Baltrun,
M., Neuba, A., Schoch, R., Hohloch, S., Heinze, K., Seitz, M., Kühn, O., Lochbrunner,
S., & Bauer, M. (2021). Distinct photodynamics of κ-N and κ-C pseudoisomeric
iron(ii) complexes. Chemical Communications, 57(54), 6640–6643.
https://doi.org/10.1039/d1cc01716k
bibtex: '@article{Dierks_Kruse_Bokareva_Al-Marri_Kalmbach_Baltrun_Neuba_Schoch_Hohloch_Heinze_et
al._2021, title={Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii)
complexes}, volume={57}, DOI={10.1039/d1cc01716k},
number={54}, journal={Chemical Communications}, publisher={Royal Society of Chemistry
(RSC)}, author={Dierks, Philipp and Kruse, Ayla and Bokareva, Olga S. and Al-Marri,
Mohammed J. and Kalmbach, Jens and Baltrun, Marc and Neuba, Adam and Schoch, Roland
and Hohloch, Stephan and Heinze, Katja and et al.}, year={2021}, pages={6640–6643}
}'
chicago: 'Dierks, Philipp, Ayla Kruse, Olga S. Bokareva, Mohammed J. Al-Marri, Jens
Kalmbach, Marc Baltrun, Adam Neuba, et al. “Distinct Photodynamics of κ-N and
κ-C Pseudoisomeric Iron(Ii) Complexes.” Chemical Communications 57, no.
54 (2021): 6640–43. https://doi.org/10.1039/d1cc01716k.'
ieee: 'P. Dierks et al., “Distinct photodynamics of κ-N and κ-C pseudoisomeric
iron(ii) complexes,” Chemical Communications, vol. 57, no. 54, pp. 6640–6643,
2021, doi: 10.1039/d1cc01716k.'
mla: Dierks, Philipp, et al. “Distinct Photodynamics of κ-N and κ-C Pseudoisomeric
Iron(Ii) Complexes.” Chemical Communications, vol. 57, no. 54, Royal Society
of Chemistry (RSC), 2021, pp. 6640–43, doi:10.1039/d1cc01716k.
short: P. Dierks, A. Kruse, O.S. Bokareva, M.J. Al-Marri, J. Kalmbach, M. Baltrun,
A. Neuba, R. Schoch, S. Hohloch, K. Heinze, M. Seitz, O. Kühn, S. Lochbrunner,
M. Bauer, Chemical Communications 57 (2021) 6640–6643.
date_created: 2023-01-30T16:59:55Z
date_updated: 2024-10-11T08:42:44Z
department:
- _id: '35'
- _id: '306'
doi: 10.1039/d1cc01716k
intvolume: ' 57'
issue: '54'
keyword:
- Materials Chemistry
- Metals and Alloys
- Surfaces
- Coatings and Films
- General Chemistry
- Ceramics and Composite
- Metallkomplexe
- Optical and Magnetic Materials
- Catalysis
language:
- iso: eng
page: 6640-6643
publication: Chemical Communications
publication_identifier:
issn:
- 1359-7345
- 1364-548X
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes
type: journal_article
user_id: '48467'
volume: 57
year: '2021'
...
---
_id: '41015'
author:
- first_name: Mathis
full_name: Benedikter, Mathis
last_name: Benedikter
- first_name: Janis
full_name: Musso, Janis
last_name: Musso
- first_name: Manoj K.
full_name: Kesharwani, Manoj K.
last_name: Kesharwani
- first_name: K. Leonard
full_name: Sterz, K. Leonard
last_name: Sterz
- first_name: Iris
full_name: Elser, Iris
last_name: Elser
- first_name: Felix
full_name: Ziegler, Felix
last_name: Ziegler
- first_name: Felix
full_name: Fischer, Felix
last_name: Fischer
- first_name: Bernd
full_name: Plietker, Bernd
last_name: Plietker
- first_name: Wolfgang
full_name: Frey, Wolfgang
last_name: Frey
- first_name: Johannes
full_name: Kästner, Johannes
last_name: Kästner
- first_name: Mario
full_name: Winkler, Mario
last_name: Winkler
- first_name: Joris
full_name: van Slageren, Joris
last_name: van Slageren
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Michael R.
full_name: Buchmeiser, Michael R.
last_name: Buchmeiser
citation:
ama: 'Benedikter M, Musso J, Kesharwani MK, et al. Charge Distribution in Cationic
Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined
X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis.
2020;10(24):14810-14823. doi:10.1021/acscatal.0c03978'
apa: 'Benedikter, M., Musso, J., Kesharwani, M. K., Sterz, K. L., Elser, I., Ziegler,
F., Fischer, F., Plietker, B., Frey, W., Kästner, J., Winkler, M., van Slageren,
J., Nowakowski, M., Bauer, M., & Buchmeiser, M. R. (2020). Charge Distribution
in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes:
A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis,
10(24), 14810–14823. https://doi.org/10.1021/acscatal.0c03978'
bibtex: '@article{Benedikter_Musso_Kesharwani_Sterz_Elser_Ziegler_Fischer_Plietker_Frey_Kästner_et
al._2020, title={Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic
Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach},
volume={10}, DOI={10.1021/acscatal.0c03978},
number={24}, journal={ACS Catalysis}, publisher={American Chemical Society (ACS)},
author={Benedikter, Mathis and Musso, Janis and Kesharwani, Manoj K. and Sterz,
K. Leonard and Elser, Iris and Ziegler, Felix and Fischer, Felix and Plietker,
Bernd and Frey, Wolfgang and Kästner, Johannes and et al.}, year={2020}, pages={14810–14823}
}'
chicago: 'Benedikter, Mathis, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz,
Iris Elser, Felix Ziegler, Felix Fischer, et al. “Charge Distribution in Cationic
Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined
X-Ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach.” ACS Catalysis
10, no. 24 (2020): 14810–23. https://doi.org/10.1021/acscatal.0c03978.'
ieee: 'M. Benedikter et al., “Charge Distribution in Cationic Molybdenum
Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS,
XES, DFT, Mössbauer, and Catalysis Approach,” ACS Catalysis, vol. 10, no.
24, pp. 14810–14823, 2020, doi: 10.1021/acscatal.0c03978.'
mla: 'Benedikter, Mathis, et al. “Charge Distribution in Cationic Molybdenum Imido
Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES,
DFT, Mössbauer, and Catalysis Approach.” ACS Catalysis, vol. 10, no. 24,
American Chemical Society (ACS), 2020, pp. 14810–23, doi:10.1021/acscatal.0c03978.'
short: M. Benedikter, J. Musso, M.K. Kesharwani, K.L. Sterz, I. Elser, F. Ziegler,
F. Fischer, B. Plietker, W. Frey, J. Kästner, M. Winkler, J. van Slageren, M.
Nowakowski, M. Bauer, M.R. Buchmeiser, ACS Catalysis 10 (2020) 14810–14823.
date_created: 2023-01-30T17:12:11Z
date_updated: 2024-05-07T11:42:56Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acscatal.0c03978
intvolume: ' 10'
issue: '24'
keyword:
- Catalysis
- General Chemistry
language:
- iso: eng
page: 14810-14823
publication: ACS Catalysis
publication_identifier:
issn:
- 2155-5435
- 2155-5435
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: 'Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic
Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach'
type: journal_article
user_id: '48467'
volume: 10
year: '2020'
...
---
_id: '41020'
author:
- first_name: Bernhard J.
full_name: Gregori, Bernhard J.
last_name: Gregori
- first_name: Michał
full_name: Nowakowski, Michał
id: '78878'
last_name: Nowakowski
orcid: 0000-0002-3734-7011
- first_name: Anke
full_name: Schoch, Anke
id: '27611'
last_name: Schoch
orcid: 0000-0002-9457-400X
- first_name: Simon
full_name: Pöllath, Simon
last_name: Pöllath
- first_name: Josef
full_name: Zweck, Josef
last_name: Zweck
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Axel
full_name: Jacobi von Wangelin, Axel
last_name: Jacobi von Wangelin
citation:
ama: Gregori BJ, Nowakowski M, Schoch A, et al. Stereoselective Chromium‐Catalyzed
Semi‐Hydrogenation of Alkynes. ChemCatChem. 2020;12(21):5359-5363. doi:10.1002/cctc.202000994
apa: Gregori, B. J., Nowakowski, M., Schoch, A., Pöllath, S., Zweck, J., Bauer,
M., & Jacobi von Wangelin, A. (2020). Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation
of Alkynes. ChemCatChem, 12(21), 5359–5363. https://doi.org/10.1002/cctc.202000994
bibtex: '@article{Gregori_Nowakowski_Schoch_Pöllath_Zweck_Bauer_Jacobi von Wangelin_2020,
title={Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes}, volume={12},
DOI={10.1002/cctc.202000994},
number={21}, journal={ChemCatChem}, publisher={Wiley}, author={Gregori, Bernhard
J. and Nowakowski, Michał and Schoch, Anke and Pöllath, Simon and Zweck, Josef
and Bauer, Matthias and Jacobi von Wangelin, Axel}, year={2020}, pages={5359–5363}
}'
chicago: 'Gregori, Bernhard J., Michał Nowakowski, Anke Schoch, Simon Pöllath, Josef
Zweck, Matthias Bauer, and Axel Jacobi von Wangelin. “Stereoselective Chromium‐Catalyzed
Semi‐Hydrogenation of Alkynes.” ChemCatChem 12, no. 21 (2020): 5359–63.
https://doi.org/10.1002/cctc.202000994.'
ieee: 'B. J. Gregori et al., “Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation
of Alkynes,” ChemCatChem, vol. 12, no. 21, pp. 5359–5363, 2020, doi: 10.1002/cctc.202000994.'
mla: Gregori, Bernhard J., et al. “Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation
of Alkynes.” ChemCatChem, vol. 12, no. 21, Wiley, 2020, pp. 5359–63, doi:10.1002/cctc.202000994.
short: B.J. Gregori, M. Nowakowski, A. Schoch, S. Pöllath, J. Zweck, M. Bauer, A.
Jacobi von Wangelin, ChemCatChem 12 (2020) 5359–5363.
date_created: 2023-01-30T17:35:14Z
date_updated: 2024-05-07T11:40:10Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/cctc.202000994
intvolume: ' 12'
issue: '21'
keyword:
- Inorganic Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
- Catalysis
language:
- iso: eng
page: 5359-5363
publication: ChemCatChem
publication_identifier:
issn:
- 1867-3880
- 1867-3899
publication_status: published
publisher: Wiley
status: public
title: Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes
type: journal_article
user_id: '48467'
volume: 12
year: '2020'
...
---
_id: '41025'
abstract:
- lang: eng
text: We investigate the structure-activity correlations of methanation catalysts
obtained by thermal decomposition of a Ni-based metal-organic framework, using
pair distribution function, X-ray absorption spectroscopy and X-ray diffraction.
author:
- first_name: Nils
full_name: Prinz, Nils
last_name: Prinz
- first_name: Leif
full_name: Schwensow, Leif
last_name: Schwensow
- first_name: Sven
full_name: Strübbe, Sven
id: '76968'
last_name: Strübbe
- first_name: Andreas
full_name: Jentys, Andreas
last_name: Jentys
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Wolfgang
full_name: Kleist, Wolfgang
last_name: Kleist
- first_name: Mirijam
full_name: Zobel, Mirijam
last_name: Zobel
citation:
ama: Prinz N, Schwensow L, Strübbe S, et al. Hard X-ray-based techniques for structural
investigations of CO2 methanation catalysts prepared by MOF decomposition. Nanoscale.
2020;12(29):15800-15813. doi:10.1039/d0nr01750g
apa: Prinz, N., Schwensow, L., Strübbe, S., Jentys, A., Bauer, M., Kleist, W., &
Zobel, M. (2020). Hard X-ray-based techniques for structural investigations of
CO2 methanation catalysts prepared by MOF decomposition. Nanoscale, 12(29),
15800–15813. https://doi.org/10.1039/d0nr01750g
bibtex: '@article{Prinz_Schwensow_Strübbe_Jentys_Bauer_Kleist_Zobel_2020, title={Hard
X-ray-based techniques for structural investigations of CO2 methanation catalysts
prepared by MOF decomposition}, volume={12}, DOI={10.1039/d0nr01750g},
number={29}, journal={Nanoscale}, publisher={Royal Society of Chemistry (RSC)},
author={Prinz, Nils and Schwensow, Leif and Strübbe, Sven and Jentys, Andreas
and Bauer, Matthias and Kleist, Wolfgang and Zobel, Mirijam}, year={2020}, pages={15800–15813}
}'
chicago: 'Prinz, Nils, Leif Schwensow, Sven Strübbe, Andreas Jentys, Matthias Bauer,
Wolfgang Kleist, and Mirijam Zobel. “Hard X-Ray-Based Techniques for Structural
Investigations of CO2 Methanation Catalysts Prepared by MOF Decomposition.” Nanoscale
12, no. 29 (2020): 15800–813. https://doi.org/10.1039/d0nr01750g.'
ieee: 'N. Prinz et al., “Hard X-ray-based techniques for structural investigations
of CO2 methanation catalysts prepared by MOF decomposition,” Nanoscale,
vol. 12, no. 29, pp. 15800–15813, 2020, doi: 10.1039/d0nr01750g.'
mla: Prinz, Nils, et al. “Hard X-Ray-Based Techniques for Structural Investigations
of CO2 Methanation Catalysts Prepared by MOF Decomposition.” Nanoscale,
vol. 12, no. 29, Royal Society of Chemistry (RSC), 2020, pp. 15800–13, doi:10.1039/d0nr01750g.
short: N. Prinz, L. Schwensow, S. Strübbe, A. Jentys, M. Bauer, W. Kleist, M. Zobel,
Nanoscale 12 (2020) 15800–15813.
date_created: 2023-01-30T17:47:17Z
date_updated: 2025-08-15T12:43:52Z
department:
- _id: '35'
- _id: '306'
doi: 10.1039/d0nr01750g
intvolume: ' 12'
issue: '29'
keyword:
- Xray
- Catalysis
language:
- iso: eng
page: 15800-15813
publication: Nanoscale
publication_identifier:
issn:
- 2040-3364
- 2040-3372
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Hard X-ray-based techniques for structural investigations of CO2 methanation
catalysts prepared by MOF decomposition
type: journal_article
user_id: '48467'
volume: 12
year: '2020'
...