---
_id: '40984'
abstract:
- lang: eng
text: A two-step seeded-growth method was refined to synthesize Au@Pd core@shell
nanoparticles with thin Pd shells, which were then deposited onto alumina to obtain
a supported Au@Pd/Al2O3 catalyst active for prototypical CO oxidation. By the
strict control of temperature and Pd/Au molar ratio and the use of l-ascorbic
acid for making both Au cores and Pd shells, a 1.5 nm Pd layer is formed around
the Au core, as evidenced by transmission electron microscopy and energy-dispersive
spectroscopy. The core@shell structure and the Pd shell remain intact upon deposition
onto alumina and after being used for CO oxidation, as revealed by additional
X-ray diffraction and X-ray photoemission spectroscopy before and after the reaction.
The Pd shell surface was characterized with in situ infrared (IR) spectroscopy
using CO as a chemical probe during CO adsorption–desorption. The IR bands for
CO ad-species on the Pd shell suggest that the shell exposes mostly low-index
surfaces, likely Pd(111) as the majority facet. Generally, the IR bands are blue-shifted
as compared to conventional Pd/alumina catalysts, which may be due to the different
support materials for Pd, Au versus Al2O3, and/or less strain of the Pd shell.
Frequencies obtained from density functional calculations suggest the latter to
be significant. Further, the catalytic CO oxidation ignition-extinction processes
were followed by in situ IR, which shows the common CO poisoning and kinetic behavior
associated with competitive adsorption of CO and O2 that is typically observed
for noble metal catalysts.
author:
- first_name: Yanyue
full_name: Feng, Yanyue
last_name: Feng
- first_name: Andreas
full_name: Schaefer, Andreas
last_name: Schaefer
- first_name: Anders
full_name: Hellman, Anders
last_name: Hellman
- first_name: Mengqiao
full_name: Di, Mengqiao
last_name: Di
- first_name: Hanna
full_name: Härelind, Hanna
last_name: Härelind
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Per-Anders
full_name: Carlsson, Per-Anders
last_name: Carlsson
citation:
ama: Feng Y, Schaefer A, Hellman A, et al. Synthesis and Characterization of Catalytically
Active Au Core─Pd Shell Nanoparticles Supported on Alumina. Langmuir. 2022;38(42):12859-12870.
doi:10.1021/acs.langmuir.2c01834
apa: Feng, Y., Schaefer, A., Hellman, A., Di, M., Härelind, H., Bauer, M., &
Carlsson, P.-A. (2022). Synthesis and Characterization of Catalytically Active
Au Core─Pd Shell Nanoparticles Supported on Alumina. Langmuir, 38(42),
12859–12870. https://doi.org/10.1021/acs.langmuir.2c01834
bibtex: '@article{Feng_Schaefer_Hellman_Di_Härelind_Bauer_Carlsson_2022, title={Synthesis
and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported
on Alumina}, volume={38}, DOI={10.1021/acs.langmuir.2c01834},
number={42}, journal={Langmuir}, publisher={American Chemical Society (ACS)},
author={Feng, Yanyue and Schaefer, Andreas and Hellman, Anders and Di, Mengqiao
and Härelind, Hanna and Bauer, Matthias and Carlsson, Per-Anders}, year={2022},
pages={12859–12870} }'
chicago: 'Feng, Yanyue, Andreas Schaefer, Anders Hellman, Mengqiao Di, Hanna Härelind,
Matthias Bauer, and Per-Anders Carlsson. “Synthesis and Characterization of Catalytically
Active Au Core─Pd Shell Nanoparticles Supported on Alumina.” Langmuir 38,
no. 42 (2022): 12859–70. https://doi.org/10.1021/acs.langmuir.2c01834.'
ieee: 'Y. Feng et al., “Synthesis and Characterization of Catalytically Active
Au Core─Pd Shell Nanoparticles Supported on Alumina,” Langmuir, vol. 38,
no. 42, pp. 12859–12870, 2022, doi: 10.1021/acs.langmuir.2c01834.'
mla: Feng, Yanyue, et al. “Synthesis and Characterization of Catalytically Active
Au Core─Pd Shell Nanoparticles Supported on Alumina.” Langmuir, vol. 38,
no. 42, American Chemical Society (ACS), 2022, pp. 12859–70, doi:10.1021/acs.langmuir.2c01834.
short: Y. Feng, A. Schaefer, A. Hellman, M. Di, H. Härelind, M. Bauer, P.-A. Carlsson,
Langmuir 38 (2022) 12859–12870.
date_created: 2023-01-30T16:22:57Z
date_updated: 2023-01-31T08:00:11Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acs.langmuir.2c01834
intvolume: ' 38'
issue: '42'
keyword:
- Electrochemistry
- Spectroscopy
- Surfaces and Interfaces
- Condensed Matter Physics
- General Materials Science
language:
- iso: eng
page: 12859-12870
publication: Langmuir
publication_identifier:
issn:
- 0743-7463
- 1520-5827
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles
Supported on Alumina
type: journal_article
user_id: '48467'
volume: 38
year: '2022'
...
---
_id: '40993'
abstract:
- lang: eng
text: Understanding high-temperature unconventional superconductivity has become
a long-lasting problem in which the cuprates stand as central reference materials.
Given this impasse, the recent discovery of superconductivity in analogous nickelate
thin films represents a fundamental breakthrough calling for the identification
of additional materials in this class. In particular, thermodynamically more robust
systems are required to “upgrade” nickelate superconductors from thin films to
bulk samples. Here, we contribute in this direction by reporting the synthesis
of the new single-layer T′ Pr2NiO3F compound, assessing this synthesis in relation
to the only previous T′ nickelate La2NiO3F, and analyzing the electronic properties
across the R2NiO3F series (R = La–Lu) via first-principles calculations. We find
that these mixed anion systems have a comparatively high degree of stability and
their synthesis enables a fine-tuning of their composition as inferred from their
characterization. Furthermore, we find that these unprecedented square-planar
nickelates hold great promise as prospective superconductors due to their exceptional
electronic structure.
author:
- first_name: Kerstin
full_name: Wissel, Kerstin
last_name: Wissel
- first_name: Fabio
full_name: Bernardini, Fabio
last_name: Bernardini
- first_name: Heesu
full_name: Oh, Heesu
last_name: Oh
- first_name: Sami
full_name: Vasala, Sami
last_name: Vasala
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Björn
full_name: Blaschkowski, Björn
last_name: Blaschkowski
- first_name: Pieter
full_name: Glatzel, Pieter
last_name: Glatzel
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Oliver
full_name: Clemens, Oliver
last_name: Clemens
- first_name: Andrés
full_name: Cano, Andrés
last_name: Cano
citation:
ama: 'Wissel K, Bernardini F, Oh H, et al. Single-Layer T′ Nickelates: Synthesis
of the La and Pr Members and Electronic Properties across the Rare-Earth Series.
Chemistry of Materials. 2022;34(16):7201-7209. doi:10.1021/acs.chemmater.2c00726'
apa: 'Wissel, K., Bernardini, F., Oh, H., Vasala, S., Schoch, R., Blaschkowski,
B., Glatzel, P., Bauer, M., Clemens, O., & Cano, A. (2022). Single-Layer T′
Nickelates: Synthesis of the La and Pr Members and Electronic Properties across
the Rare-Earth Series. Chemistry of Materials, 34(16), 7201–7209.
https://doi.org/10.1021/acs.chemmater.2c00726'
bibtex: '@article{Wissel_Bernardini_Oh_Vasala_Schoch_Blaschkowski_Glatzel_Bauer_Clemens_Cano_2022,
title={Single-Layer T′ Nickelates: Synthesis of the La and Pr Members and Electronic
Properties across the Rare-Earth Series}, volume={34}, DOI={10.1021/acs.chemmater.2c00726},
number={16}, journal={Chemistry of Materials}, publisher={American Chemical Society
(ACS)}, author={Wissel, Kerstin and Bernardini, Fabio and Oh, Heesu and Vasala,
Sami and Schoch, Roland and Blaschkowski, Björn and Glatzel, Pieter and Bauer,
Matthias and Clemens, Oliver and Cano, Andrés}, year={2022}, pages={7201–7209}
}'
chicago: 'Wissel, Kerstin, Fabio Bernardini, Heesu Oh, Sami Vasala, Roland Schoch,
Björn Blaschkowski, Pieter Glatzel, Matthias Bauer, Oliver Clemens, and Andrés
Cano. “Single-Layer T′ Nickelates: Synthesis of the La and Pr Members and Electronic
Properties across the Rare-Earth Series.” Chemistry of Materials 34, no.
16 (2022): 7201–9. https://doi.org/10.1021/acs.chemmater.2c00726.'
ieee: 'K. Wissel et al., “Single-Layer T′ Nickelates: Synthesis of the La
and Pr Members and Electronic Properties across the Rare-Earth Series,” Chemistry
of Materials, vol. 34, no. 16, pp. 7201–7209, 2022, doi: 10.1021/acs.chemmater.2c00726.'
mla: 'Wissel, Kerstin, et al. “Single-Layer T′ Nickelates: Synthesis of the La and
Pr Members and Electronic Properties across the Rare-Earth Series.” Chemistry
of Materials, vol. 34, no. 16, American Chemical Society (ACS), 2022, pp.
7201–09, doi:10.1021/acs.chemmater.2c00726.'
short: K. Wissel, F. Bernardini, H. Oh, S. Vasala, R. Schoch, B. Blaschkowski, P.
Glatzel, M. Bauer, O. Clemens, A. Cano, Chemistry of Materials 34 (2022) 7201–7209.
date_created: 2023-01-30T16:44:52Z
date_updated: 2023-01-31T08:01:26Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acs.chemmater.2c00726
intvolume: ' 34'
issue: '16'
keyword:
- Materials Chemistry
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
page: 7201-7209
publication: Chemistry of Materials
publication_identifier:
issn:
- 0897-4756
- 1520-5002
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: 'Single-Layer T′ Nickelates: Synthesis of the La and Pr Members and Electronic
Properties across the Rare-Earth Series'
type: journal_article
user_id: '48467'
volume: 34
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: '41008'
author:
- first_name: Philipp
full_name: Dierks, Philipp
last_name: Dierks
citation:
ama: Dierks P. Synthesis and Characterization of Multichromophoric Iron(II) Complexes
as Novel Photosensitizers.; 2022. doi:10.17619/UNIPB/1-1558
apa: Dierks, P. (2022). Synthesis and characterization of multichromophoric iron(II)
complexes as novel photosensitizers. https://doi.org/10.17619/UNIPB/1-1558
bibtex: '@book{Dierks_2022, title={Synthesis and characterization of multichromophoric
iron(II) complexes as novel photosensitizers}, DOI={10.17619/UNIPB/1-1558},
author={Dierks, Philipp}, year={2022} }'
chicago: Dierks, Philipp. Synthesis and Characterization of Multichromophoric
Iron(II) Complexes as Novel Photosensitizers, 2022. https://doi.org/10.17619/UNIPB/1-1558.
ieee: P. Dierks, Synthesis and characterization of multichromophoric iron(II)
complexes as novel photosensitizers. 2022.
mla: Dierks, Philipp. Synthesis and Characterization of Multichromophoric Iron(II)
Complexes as Novel Photosensitizers. 2022, doi:10.17619/UNIPB/1-1558.
short: P. Dierks, Synthesis and Characterization of Multichromophoric Iron(II) Complexes
as Novel Photosensitizers, 2022.
date_created: 2023-01-30T17:01:36Z
date_updated: 2023-01-31T08:19:20Z
department:
- _id: '35'
- _id: '306'
doi: 10.17619/UNIPB/1-1558
language:
- iso: eng
status: public
supervisor:
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
title: Synthesis and characterization of multichromophoric iron(II) complexes as novel
photosensitizers
type: dissertation
user_id: '27611'
year: '2022'
...
---
_id: '41014'
author:
- first_name: Marina
full_name: Huber-Gedert, Marina
last_name: Huber-Gedert
citation:
ama: Huber-Gedert M. Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic
Hydrogen Evolution.; 2022.
apa: Huber-Gedert, M. (2022). Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic
Hydrogen Evolution.
bibtex: '@book{Huber-Gedert_2022, title={Base Metal Iron(II)-Cobalt(III) Dyads for
Photocatalytic Hydrogen Evolution}, author={Huber-Gedert, Marina}, year={2022}
}'
chicago: Huber-Gedert, Marina. Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic
Hydrogen Evolution, 2022.
ieee: M. Huber-Gedert, Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic
Hydrogen Evolution. 2022.
mla: Huber-Gedert, Marina. Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic
Hydrogen Evolution. 2022.
short: M. Huber-Gedert, Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic
Hydrogen Evolution, 2022.
date_created: 2023-01-30T17:02:51Z
date_updated: 2023-01-31T08:19:30Z
department:
- _id: '35'
- _id: '306'
language:
- iso: eng
status: public
supervisor:
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
title: Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic Hydrogen Evolution
type: dissertation
user_id: '27611'
year: '2022'
...
---
_id: '44376'
author:
- first_name: Güldeniz
full_name: Tonbul, Güldeniz
id: '89054'
last_name: Tonbul
orcid: 0000-0002-0999-9995
- first_name: 'Julian '
full_name: 'Kappler, Julian '
last_name: Kappler
- first_name: 'Saravanakumar '
full_name: 'Murugan, Saravanakumar '
last_name: Murugan
- first_name: 'Roland '
full_name: 'Schoch, Roland '
last_name: Schoch
- first_name: 'Michal '
full_name: 'Nowakowski, Michal '
last_name: Nowakowski
- first_name: 'Pia '
full_name: 'Lange, Pia '
last_name: Lange
- first_name: Matthias
full_name: Bauer, Matthias
last_name: Bauer
- first_name: Michael R.
full_name: Buchmeiser, Michael R.
last_name: Buchmeiser
citation:
ama: 'Tonbul G, Kappler J, Murugan S, et al. Development of Battery System Based
on Na-S and Characterization Using X-ray Absorption Spectroscopy. In: ; 2022.'
apa: Tonbul, G., Kappler, J., Murugan, S., Schoch, R., Nowakowski, M., Lange, P.,
Bauer, M., & Buchmeiser, M. R. (2022). Development of Battery System Based
on Na-S and Characterization Using X-ray Absorption Spectroscopy. Electrochem2022
& 63rd Corrosion Science Symposium, Edinburgh.
bibtex: '@inproceedings{Tonbul_Kappler_Murugan_Schoch_Nowakowski_Lange_Bauer_Buchmeiser_2022,
place={Edinburgh}, title={Development of Battery System Based on Na-S and Characterization
Using X-ray Absorption Spectroscopy}, author={Tonbul, Güldeniz and Kappler, Julian and
Murugan, Saravanakumar and Schoch, Roland and Nowakowski, Michal and Lange,
Pia and Bauer, Matthias and Buchmeiser, Michael R.}, year={2022} }'
chicago: Tonbul, Güldeniz, Julian Kappler, Saravanakumar Murugan, Roland Schoch,
Michal Nowakowski, Pia Lange, Matthias Bauer, and Michael R. Buchmeiser. “Development
of Battery System Based on Na-S and Characterization Using X-Ray Absorption Spectroscopy.”
Edinburgh, 2022.
ieee: G. Tonbul et al., “Development of Battery System Based on Na-S and
Characterization Using X-ray Absorption Spectroscopy,” presented at the Electrochem2022
& 63rd Corrosion Science Symposium, Edinburgh, 2022.
mla: Tonbul, Güldeniz, et al. Development of Battery System Based on Na-S and
Characterization Using X-Ray Absorption Spectroscopy. 2022.
short: 'G. Tonbul, J. Kappler, S. Murugan, R. Schoch, M. Nowakowski, P. Lange, M.
Bauer, M.R. Buchmeiser, in: Edinburgh, 2022.'
conference:
end_date: 2022-09-06
location: Edinburgh
name: Electrochem2022 & 63rd Corrosion Science Symposium
start_date: 2022-09-04
date_created: 2023-05-03T08:25:33Z
date_updated: 2023-05-03T08:26:41Z
department:
- _id: '306'
language:
- iso: eng
place: Edinburgh
status: public
title: Development of Battery System Based on Na-S and Characterization Using X-ray
Absorption Spectroscopy
type: conference_abstract
user_id: '89054'
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: '41009'
abstract:
- lang: eng
text: Platinum hydride species catalyze a number of interesting organic reactions.
However, their reactions typically involve the use of high loadings of noble metal
and are difficult to recycle, making them somewhat unsustainable. We have synthesized
surface-immobilized Pt–H species via oxidative addition of surface OH groups to
Pt(PtBu3)2 (1), a rarely used immobilization technique in surface organometallic
chemistry. The hydride species thus made were characterized by infrared, magic-angle
spinning nuclear magnetic resonance, and X-ray absorption spectroscopies and catalyzed
both olefin isomerization and cycloisomerization of a 1,6 enyne (5) with a high
selectivity and low Pt loading.
article_type: original
author:
- first_name: Sarah
full_name: Maier, Sarah
last_name: Maier
- first_name: Steve P.
full_name: Cronin, Steve P.
last_name: Cronin
- first_name: Manh-Anh
full_name: Vu Dinh, Manh-Anh
last_name: Vu Dinh
- first_name: Zheng
full_name: Li, Zheng
last_name: Li
- first_name: Michael
full_name: Dyballa, Michael
last_name: Dyballa
- 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: Deven P.
full_name: Estes, Deven P.
last_name: Estes
citation:
ama: Maier S, Cronin SP, Vu Dinh M-A, et al. Immobilized Platinum Hydride Species
as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics.
2021;40(11):1751-1757. doi:10.1021/acs.organomet.1c00216
apa: Maier, S., Cronin, S. P., Vu Dinh, M.-A., Li, Z., Dyballa, M., Nowakowski,
M., Bauer, M., & Estes, D. P. (2021). Immobilized Platinum Hydride Species
as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics,
40(11), 1751–1757. https://doi.org/10.1021/acs.organomet.1c00216
bibtex: '@article{Maier_Cronin_Vu Dinh_Li_Dyballa_Nowakowski_Bauer_Estes_2021, title={Immobilized
Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations},
volume={40}, DOI={10.1021/acs.organomet.1c00216},
number={11}, journal={Organometallics}, publisher={American Chemical Society (ACS)},
author={Maier, Sarah and Cronin, Steve P. and Vu Dinh, Manh-Anh and Li, Zheng
and Dyballa, Michael and Nowakowski, Michał and Bauer, Matthias and Estes, Deven
P.}, year={2021}, pages={1751–1757} }'
chicago: 'Maier, Sarah, Steve P. Cronin, Manh-Anh Vu Dinh, Zheng Li, Michael Dyballa,
Michał Nowakowski, Matthias Bauer, and Deven P. Estes. “Immobilized Platinum Hydride
Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations.”
Organometallics 40, no. 11 (2021): 1751–57. https://doi.org/10.1021/acs.organomet.1c00216.'
ieee: 'S. Maier et al., “Immobilized Platinum Hydride Species as Catalysts
for Olefin Isomerizations and Enyne Cycloisomerizations,” Organometallics,
vol. 40, no. 11, pp. 1751–1757, 2021, doi: 10.1021/acs.organomet.1c00216.'
mla: Maier, Sarah, et al. “Immobilized Platinum Hydride Species as Catalysts for
Olefin Isomerizations and Enyne Cycloisomerizations.” Organometallics,
vol. 40, no. 11, American Chemical Society (ACS), 2021, pp. 1751–57, doi:10.1021/acs.organomet.1c00216.
short: S. Maier, S.P. Cronin, M.-A. Vu Dinh, Z. Li, M. Dyballa, M. Nowakowski, M.
Bauer, D.P. Estes, Organometallics 40 (2021) 1751–1757.
date_created: 2023-01-30T17:00:10Z
date_updated: 2024-05-07T11:43:17Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acs.organomet.1c00216
intvolume: ' 40'
issue: '11'
keyword:
- Inorganic Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 1751-1757
publication: Organometallics
publication_identifier:
issn:
- 0276-7333
- 1520-6041
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations
and Enyne Cycloisomerizations
type: journal_article
user_id: '48467'
volume: 40
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: '41006'
author:
- first_name: Steffen
full_name: Schlicher, Steffen
last_name: Schlicher
citation:
ama: 'Schlicher S. Iron Oxide Catalysts for CO Oxidation : From Basic Structure-Activity-Correlation
to an Advanced Preparation Strategy for Highly Active Catalysts.; 2021. doi:10.17619/UNIPB/1-1089'
apa: 'Schlicher, S. (2021). Iron oxide catalysts for CO oxidation : from basic
structure-activity-correlation to an advanced preparation strategy for highly
active catalysts. https://doi.org/10.17619/UNIPB/1-1089'
bibtex: '@book{Schlicher_2021, title={Iron oxide catalysts for CO oxidation : from
basic structure-activity-correlation to an advanced preparation strategy for highly
active catalysts}, DOI={10.17619/UNIPB/1-1089},
author={Schlicher, Steffen}, year={2021} }'
chicago: 'Schlicher, Steffen. Iron Oxide Catalysts for CO Oxidation : From Basic
Structure-Activity-Correlation to an Advanced Preparation Strategy for Highly
Active Catalysts, 2021. https://doi.org/10.17619/UNIPB/1-1089.'
ieee: 'S. Schlicher, Iron oxide catalysts for CO oxidation : from basic structure-activity-correlation
to an advanced preparation strategy for highly active catalysts. 2021.'
mla: 'Schlicher, Steffen. Iron Oxide Catalysts for CO Oxidation : From Basic
Structure-Activity-Correlation to an Advanced Preparation Strategy for Highly
Active Catalysts. 2021, doi:10.17619/UNIPB/1-1089.'
short: 'S. Schlicher, Iron Oxide Catalysts for CO Oxidation : From Basic Structure-Activity-Correlation
to an Advanced Preparation Strategy for Highly Active Catalysts, 2021.'
date_created: 2023-01-30T16:59:34Z
date_updated: 2023-01-31T08:19:09Z
department:
- _id: '35'
- _id: '306'
doi: 10.17619/UNIPB/1-1089
language:
- iso: eng
status: public
supervisor:
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
title: 'Iron oxide catalysts for CO oxidation : from basic structure-activity-correlation
to an advanced preparation strategy for highly active catalysts'
type: dissertation
user_id: '27611'
year: '2021'
...
---
_id: '41002'
abstract:
- lang: eng
text: Homogeneous catalysts immobilized on metal oxides often have different catalytic
properties than in homogeneous solution. This can be either activating or deactivating
and is often attributed to interactions of catalyst species with the metal oxide
surface. However, few studies have ever demonstrated the effect that close associations
of active sites with surfaces have on the catalytic activity. In this paper, we
immobilize H2Ru(PPh3)2(Ph2P)2N–C3H6–Si(OEt)3 (3) on SiO2, Al2O3, and ZnO and interrogate
the relationship to the surface using IR, MAS NMR, 1H–31P HETCOR, and XAS spectroscopies.
We found that while there are close contacts between the P atoms of the complex
and all three metal oxide surfaces, the Ru–H bond only reacts with oxygen bridges
on SiO2 and Al2O3, forming new Ru–O bonds. In contrast, complex 3 stays intact
on ZnO. Comparison of the catalytic activities of our immobilized species for
CO2 hydrogenation to ethyl formate showed that Lewis acidic metal oxides activate,
rather than deactivate, complex 3 in the order Al2O3 > ZnO > SiO2. The Lewis acidic
sites on the metal oxide surfaces most likely increase the productivity by increasing
the rate of esterification of formate intermediates.
article_type: original
author:
- first_name: Hoang-Huy
full_name: Nguyen, Hoang-Huy
last_name: Nguyen
- first_name: Zheng
full_name: Li, Zheng
last_name: Li
- first_name: Toni
full_name: Enenkel, Toni
last_name: Enenkel
- first_name: Joachim
full_name: Hildebrand, Joachim
last_name: Hildebrand
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Michael
full_name: Dyballa, Michael
last_name: Dyballa
- first_name: Deven P.
full_name: Estes, Deven P.
last_name: Estes
citation:
ama: 'Nguyen H-H, Li Z, Enenkel T, et al. Probing the Interactions of Immobilized
Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on
CO2 Hydrogenation. The Journal of Physical Chemistry C. 2021;125(27):14627-14635.
doi:10.1021/acs.jpcc.1c02074'
apa: 'Nguyen, H.-H., Li, Z., Enenkel, T., Hildebrand, J., Bauer, M., Dyballa, M.,
& Estes, D. P. (2021). Probing the Interactions of Immobilized Ruthenium Dihydride
Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation.
The Journal of Physical Chemistry C, 125(27), 14627–14635. https://doi.org/10.1021/acs.jpcc.1c02074'
bibtex: '@article{Nguyen_Li_Enenkel_Hildebrand_Bauer_Dyballa_Estes_2021, title={Probing
the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide
Surfaces by MAS NMR: Effects on CO2 Hydrogenation}, volume={125}, DOI={10.1021/acs.jpcc.1c02074},
number={27}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Nguyen, Hoang-Huy and Li, Zheng and Enenkel,
Toni and Hildebrand, Joachim and Bauer, Matthias and Dyballa, Michael and Estes,
Deven P.}, year={2021}, pages={14627–14635} }'
chicago: 'Nguyen, Hoang-Huy, Zheng Li, Toni Enenkel, Joachim Hildebrand, Matthias
Bauer, Michael Dyballa, and Deven P. Estes. “Probing the Interactions of Immobilized
Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on
CO2 Hydrogenation.” The Journal of Physical Chemistry C 125,
no. 27 (2021): 14627–35. https://doi.org/10.1021/acs.jpcc.1c02074.'
ieee: 'H.-H. Nguyen et al., “Probing the Interactions of Immobilized Ruthenium
Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2
Hydrogenation,” The Journal of Physical Chemistry C, vol. 125, no. 27,
pp. 14627–14635, 2021, doi: 10.1021/acs.jpcc.1c02074.'
mla: 'Nguyen, Hoang-Huy, et al. “Probing the Interactions of Immobilized Ruthenium
Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2
Hydrogenation.” The Journal of Physical Chemistry C, vol. 125, no. 27,
American Chemical Society (ACS), 2021, pp. 14627–35, doi:10.1021/acs.jpcc.1c02074.'
short: H.-H. Nguyen, Z. Li, T. Enenkel, J. Hildebrand, M. Bauer, M. Dyballa, D.P.
Estes, The Journal of Physical Chemistry C 125 (2021) 14627–14635.
date_created: 2023-01-30T16:49:18Z
date_updated: 2023-01-31T08:06:00Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acs.jpcc.1c02074
intvolume: ' 125'
issue: '27'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 14627-14635
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: 'Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with
Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation'
type: journal_article
user_id: '48467'
volume: 125
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: '40997'
abstract:
- lang: eng
text: 'On transition metals such as iron rests lots of hope to replace precious
metal catalysts in the field of photochemistry for a more sustainable future.
Indeed, significant progress has been made in recent years in terms of lifetime
extension and emerging applications in catalysis. For this reason, recent synthetic
strategies of new photoactive iron compounds, which have proved to show particularly
promising properties, are reviewed here. The lifetime of the excited state serves
as a key parameter for comparison with the standard ruthenium complex, [Ru(bpy)3]2+,
to discuss the potential and performance of the iron complexes. This approach
is complemented by a more holistic examination of the sustainability of such a
substitution strategy in order to answer the question: when or at which point
can we assume that iron represents a more sustainable alternative for noble metals
in photochemical applications?'
article_type: review
author:
- first_name: Philipp
full_name: Dierks, Philipp
last_name: Dierks
- first_name: Yannik
full_name: Vukadinovic, Yannik
last_name: Vukadinovic
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
citation:
ama: 'Dierks P, Vukadinovic Y, Bauer M. Photoactive iron complexes: more sustainable,
but still a challenge. Inorganic Chemistry Frontiers. 2021;9(2):206-220.
doi:10.1039/d1qi01112j'
apa: 'Dierks, P., Vukadinovic, Y., & Bauer, M. (2021). Photoactive iron complexes:
more sustainable, but still a challenge. Inorganic Chemistry Frontiers,
9(2), 206–220. https://doi.org/10.1039/d1qi01112j'
bibtex: '@article{Dierks_Vukadinovic_Bauer_2021, title={Photoactive iron complexes:
more sustainable, but still a challenge}, volume={9}, DOI={10.1039/d1qi01112j},
number={2}, journal={Inorganic Chemistry Frontiers}, publisher={Royal Society
of Chemistry (RSC)}, author={Dierks, Philipp and Vukadinovic, Yannik and Bauer,
Matthias}, year={2021}, pages={206–220} }'
chicago: 'Dierks, Philipp, Yannik Vukadinovic, and Matthias Bauer. “Photoactive
Iron Complexes: More Sustainable, but Still a Challenge.” Inorganic Chemistry
Frontiers 9, no. 2 (2021): 206–20. https://doi.org/10.1039/d1qi01112j.'
ieee: 'P. Dierks, Y. Vukadinovic, and M. Bauer, “Photoactive iron complexes: more
sustainable, but still a challenge,” Inorganic Chemistry Frontiers, vol.
9, no. 2, pp. 206–220, 2021, doi: 10.1039/d1qi01112j.'
mla: 'Dierks, Philipp, et al. “Photoactive Iron Complexes: More Sustainable, but
Still a Challenge.” Inorganic Chemistry Frontiers, vol. 9, no. 2, Royal
Society of Chemistry (RSC), 2021, pp. 206–20, doi:10.1039/d1qi01112j.'
short: P. Dierks, Y. Vukadinovic, M. Bauer, Inorganic Chemistry Frontiers 9 (2021)
206–220.
date_created: 2023-01-30T16:47:45Z
date_updated: 2023-01-31T08:04:56Z
department:
- _id: '35'
- _id: '306'
doi: 10.1039/d1qi01112j
intvolume: ' 9'
issue: '2'
keyword:
- Inorganic Chemistry
language:
- iso: eng
page: 206-220
publication: Inorganic Chemistry Frontiers
publication_identifier:
issn:
- 2052-1553
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: 'Photoactive iron complexes: more sustainable, but still a challenge'
type: journal_article
user_id: '48467'
volume: 9
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: '41013'
abstract:
- lang: eng
text: Within this article, it is shown that an electrochemical defluorination and
additional fluorination of Ruddlesden–Popper-type La2NiO3F2 is possible within
all-solid-state fluoride-ion batteries. Structural changes within the reduced
and oxidized phases have been examined by X-ray diffraction studies at different
states of charging and discharging. The synthesis of the oxidized phase La2NiO3F2+x
proved to be successful by structural analysis using both X-ray powder diffraction
and automated electron diffraction tomography techniques. The structural reversibility
on re-fluorinating and re-defluorinating is also demonstrated. Moreover, the influence
of different sequences of consecutive reduction and oxidation steps on the formed
phases has been investigated. The observed structural changes have been compared
to changes in phases obtained via other topochemical modification approaches such
as hydride-based reduction and oxidative fluorination using F2 gas, highlighting
the potential of such electrochemical reactions as alternative synthesis routes.
Furthermore, the electrochemical routes represent safe and controllable synthesis
approaches for novel phases, which cannot be synthesized via other topochemical
methods. Additionally, side reactions, occurring alongside the desired electrochemical
reactions, have been addressed and the cycling performance has been studied.
article_type: original
author:
- first_name: Kerstin
full_name: Wissel, Kerstin
last_name: Wissel
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Tobias
full_name: Vogel, Tobias
last_name: Vogel
- first_name: Manuel
full_name: Donzelli, Manuel
last_name: Donzelli
- first_name: Galina
full_name: Matveeva, Galina
last_name: Matveeva
- first_name: Ute
full_name: Kolb, Ute
last_name: Kolb
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Peter R.
full_name: Slater, Peter R.
last_name: Slater
- first_name: Oliver
full_name: Clemens, Oliver
last_name: Clemens
citation:
ama: Wissel K, Schoch R, Vogel T, et al. Electrochemical Reduction and Oxidation
of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion
Batteries. Chemistry of Materials. 2021;33(2):499-512. doi:10.1021/acs.chemmater.0c01762
apa: Wissel, K., Schoch, R., Vogel, T., Donzelli, M., Matveeva, G., Kolb, U., Bauer,
M., Slater, P. R., & Clemens, O. (2021). Electrochemical Reduction and Oxidation
of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion
Batteries. Chemistry of Materials, 33(2), 499–512. https://doi.org/10.1021/acs.chemmater.0c01762
bibtex: '@article{Wissel_Schoch_Vogel_Donzelli_Matveeva_Kolb_Bauer_Slater_Clemens_2021,
title={Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2
within Fluoride-Ion Batteries}, volume={33}, DOI={10.1021/acs.chemmater.0c01762},
number={2}, journal={Chemistry of Materials}, publisher={American Chemical Society
(ACS)}, author={Wissel, Kerstin and Schoch, Roland and Vogel, Tobias and Donzelli,
Manuel and Matveeva, Galina and Kolb, Ute and Bauer, Matthias and Slater, Peter
R. and Clemens, Oliver}, year={2021}, pages={499–512} }'
chicago: 'Wissel, Kerstin, Roland Schoch, Tobias Vogel, Manuel Donzelli, Galina
Matveeva, Ute Kolb, Matthias Bauer, Peter R. Slater, and Oliver Clemens. “Electrochemical
Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2
within Fluoride-Ion Batteries.” Chemistry of Materials 33, no. 2 (2021):
499–512. https://doi.org/10.1021/acs.chemmater.0c01762.'
ieee: 'K. Wissel et al., “Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type
La2NiO3F2 within Fluoride-Ion Batteries,” Chemistry
of Materials, vol. 33, no. 2, pp. 499–512, 2021, doi: 10.1021/acs.chemmater.0c01762.'
mla: Wissel, Kerstin, et al. “Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type
La2NiO3F2 within Fluoride-Ion Batteries.” Chemistry
of Materials, vol. 33, no. 2, American Chemical Society (ACS), 2021, pp. 499–512,
doi:10.1021/acs.chemmater.0c01762.
short: K. Wissel, R. Schoch, T. Vogel, M. Donzelli, G. Matveeva, U. Kolb, M. Bauer,
P.R. Slater, O. Clemens, Chemistry of Materials 33 (2021) 499–512.
date_created: 2023-01-30T17:01:00Z
date_updated: 2023-01-31T08:07:28Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acs.chemmater.0c01762
intvolume: ' 33'
issue: '2'
keyword:
- Materials Chemistry
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
page: 499-512
publication: Chemistry of Materials
publication_identifier:
issn:
- 0897-4756
- 1520-5002
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2
within Fluoride-Ion Batteries
type: journal_article
user_id: '48467'
volume: 33
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: '41012'
abstract:
- lang: eng
text: Here we explore the electronic structure of the diiron complex [(dppf)Fe(CO)3]0/+
[10/+; dppf = 1,1′-bis(diphenylphosphino)ferrocene] in two oxidation states by
an advanced multitechnique experimental approach. A combination of magnetic circular
dichroism, X-ray absorption and emission, high-frequency electron paramagnetic
resonance (EPR), and Mössbauer spectroscopies is used to establish that oxidation
of 10 occurs on the carbonyl iron ion, resulting in a low-spin iron(I) ion. It
is shown that an unequivocal result is obtained by combining several methods.
Compound 1+ displays slow spin dynamics, which is used here to study its geometric
structure by means of pulsed EPR methods. Surprisingly, these data show an association
of the tetrakis[3,5-bis(trifluoromethylphenyl)]borate counterion with 1+.
article_type: original
author:
- first_name: Mario
full_name: Winkler, Mario
last_name: Winkler
- first_name: Marc
full_name: Schnierle, Marc
last_name: Schnierle
- first_name: Felix
full_name: Ehrlich, Felix
last_name: Ehrlich
- first_name: Kim-Isabelle
full_name: Mehnert, Kim-Isabelle
last_name: Mehnert
- first_name: David
full_name: Hunger, David
last_name: Hunger
- first_name: Alena M.
full_name: Sheveleva, Alena M.
last_name: Sheveleva
- first_name: Lukas
full_name: Burkhardt, Lukas
last_name: Burkhardt
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Floriana
full_name: Tuna, Floriana
last_name: Tuna
- first_name: Mark R.
full_name: Ringenberg, Mark R.
last_name: Ringenberg
- first_name: Joris
full_name: van Slageren, Joris
last_name: van Slageren
citation:
ama: 'Winkler M, Schnierle M, Ehrlich F, et al. Electronic Structure of a Diiron
Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0.
Inorganic Chemistry. 2021;60(5):2856-2865. doi:10.1021/acs.inorgchem.0c03259'
apa: 'Winkler, M., Schnierle, M., Ehrlich, F., Mehnert, K.-I., Hunger, D., Sheveleva,
A. M., Burkhardt, L., Bauer, M., Tuna, F., Ringenberg, M. R., & van Slageren,
J. (2021). Electronic Structure of a Diiron Complex: A Multitechnique Experimental
Study of [(dppf)Fe(CO) 3]+/0. Inorganic Chemistry,
60(5), 2856–2865. https://doi.org/10.1021/acs.inorgchem.0c03259'
bibtex: '@article{Winkler_Schnierle_Ehrlich_Mehnert_Hunger_Sheveleva_Burkhardt_Bauer_Tuna_Ringenberg_et
al._2021, title={Electronic Structure of a Diiron Complex: A Multitechnique Experimental
Study of [(dppf)Fe(CO) 3]+/0}, volume={60}, DOI={10.1021/acs.inorgchem.0c03259},
number={5}, journal={Inorganic Chemistry}, publisher={American Chemical Society
(ACS)}, author={Winkler, Mario and Schnierle, Marc and Ehrlich, Felix and Mehnert,
Kim-Isabelle and Hunger, David and Sheveleva, Alena M. and Burkhardt, Lukas and
Bauer, Matthias and Tuna, Floriana and Ringenberg, Mark R. and et al.}, year={2021},
pages={2856–2865} }'
chicago: 'Winkler, Mario, Marc Schnierle, Felix Ehrlich, Kim-Isabelle Mehnert, David
Hunger, Alena M. Sheveleva, Lukas Burkhardt, et al. “Electronic Structure of a
Diiron Complex: A Multitechnique Experimental Study of [(Dppf)Fe(CO) 3]+/0.”
Inorganic Chemistry 60, no. 5 (2021): 2856–65. https://doi.org/10.1021/acs.inorgchem.0c03259.'
ieee: 'M. Winkler et al., “Electronic Structure of a Diiron Complex: A Multitechnique
Experimental Study of [(dppf)Fe(CO) 3]+/0,” Inorganic
Chemistry, vol. 60, no. 5, pp. 2856–2865, 2021, doi: 10.1021/acs.inorgchem.0c03259.'
mla: 'Winkler, Mario, et al. “Electronic Structure of a Diiron Complex: A Multitechnique
Experimental Study of [(Dppf)Fe(CO) 3]+/0.” Inorganic
Chemistry, vol. 60, no. 5, American Chemical Society (ACS), 2021, pp. 2856–65,
doi:10.1021/acs.inorgchem.0c03259.'
short: M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva,
L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren, Inorganic Chemistry
60 (2021) 2856–2865.
date_created: 2023-01-30T17:00:49Z
date_updated: 2023-01-31T08:07:16Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acs.inorgchem.0c03259
intvolume: ' 60'
issue: '5'
keyword:
- Inorganic Chemistry
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 2856-2865
publication: Inorganic Chemistry
publication_identifier:
issn:
- 0020-1669
- 1520-510X
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: 'Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study
of [(dppf)Fe(CO) 3]+/0'
type: journal_article
user_id: '48467'
volume: 60
year: '2021'
...