---
_id: '33657'
article_number: '110567'
author:
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Hossein
full_name: Tahmasbi, Hossein
last_name: Tahmasbi
- first_name: Sai Ram
full_name: Kuchana, Sai Ram
last_name: Kuchana
- first_name: Alireza
full_name: Ghasemi, Alireza
id: '77282'
last_name: Ghasemi
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach
for developing neural network interatomic potentials with FLAME. Computational
Materials Science. 2021;197. doi:10.1016/j.commatsci.2021.110567
apa: Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., & Kühne, T.
(2021). An automated approach for developing neural network interatomic potentials
with FLAME. Computational Materials Science, 197, Article 110567.
https://doi.org/10.1016/j.commatsci.2021.110567
bibtex: '@article{Mirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title={An automated
approach for developing neural network interatomic potentials with FLAME}, volume={197},
DOI={10.1016/j.commatsci.2021.110567},
number={110567}, journal={Computational Materials Science}, publisher={Elsevier
BV}, author={Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and
Ghasemi, Alireza and Kühne, Thomas}, year={2021} }'
chicago: Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi,
and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic
Potentials with FLAME.” Computational Materials Science 197 (2021). https://doi.org/10.1016/j.commatsci.2021.110567.
ieee: 'H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An
automated approach for developing neural network interatomic potentials with FLAME,”
Computational Materials Science, vol. 197, Art. no. 110567, 2021, doi:
10.1016/j.commatsci.2021.110567.'
mla: Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network
Interatomic Potentials with FLAME.” Computational Materials Science, vol.
197, 110567, Elsevier BV, 2021, doi:10.1016/j.commatsci.2021.110567.
short: H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational
Materials Science 197 (2021).
date_created: 2022-10-10T08:23:50Z
date_updated: 2022-10-10T08:24:13Z
department:
- _id: '613'
doi: 10.1016/j.commatsci.2021.110567
intvolume: ' 197'
keyword:
- Computational Mathematics
- General Physics and Astronomy
- Mechanics of Materials
- General Materials Science
- General Chemistry
- General Computer Science
language:
- iso: eng
publication: Computational Materials Science
publication_identifier:
issn:
- 0927-0256
publication_status: published
publisher: Elsevier BV
status: public
title: An automated approach for developing neural network interatomic potentials
with FLAME
type: journal_article
user_id: '71051'
volume: 197
year: '2021'
...
---
_id: '33654'
author:
- first_name: Vasileios
full_name: Balos, Vasileios
last_name: Balos
- first_name: Hossam
full_name: Elgabarty, Hossam
id: '60250'
last_name: Elgabarty
orcid: 0000-0002-4945-1481
- first_name: Martin
full_name: Wolf, Martin
last_name: Wolf
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Roland
full_name: Netz, Roland
last_name: Netz
- first_name: Douwe Jan
full_name: Bonthuis, Douwe Jan
last_name: Bonthuis
- first_name: Naveen
full_name: Kaliannan, Naveen
last_name: Kaliannan
- first_name: Philip
full_name: Loche, Philip
last_name: Loche
- first_name: Tobias
full_name: Kampfrath, Tobias
last_name: Kampfrath
- first_name: Mohsen
full_name: Sajadi, Mohsen
last_name: Sajadi
citation:
ama: 'Balos V, Elgabarty H, Wolf M, et al. Ultrafast solvent-to-solvent and solvent-to-solute
energy transfer driven by single-cycle THz electric fields. In: Razeghi M, Baranov
AN, eds. Terahertz Emitters, Receivers, and Applications XII. SPIE; 2021.
doi:10.1117/12.2594143'
apa: Balos, V., Elgabarty, H., Wolf, M., Kühne, T., Netz, R., Bonthuis, D. J., Kaliannan,
N., Loche, P., Kampfrath, T., & Sajadi, M. (2021). Ultrafast solvent-to-solvent
and solvent-to-solute energy transfer driven by single-cycle THz electric fields.
In M. Razeghi & A. N. Baranov (Eds.), Terahertz Emitters, Receivers, and
Applications XII. SPIE. https://doi.org/10.1117/12.2594143
bibtex: '@inproceedings{Balos_Elgabarty_Wolf_Kühne_Netz_Bonthuis_Kaliannan_Loche_Kampfrath_Sajadi_2021,
title={Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven
by single-cycle THz electric fields}, DOI={10.1117/12.2594143},
booktitle={Terahertz Emitters, Receivers, and Applications XII}, publisher={SPIE},
author={Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas
and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip
and Kampfrath, Tobias and Sajadi, Mohsen}, editor={Razeghi, Manijeh and Baranov,
Alexei N.}, year={2021} }'
chicago: Balos, Vasileios, Hossam Elgabarty, Martin Wolf, Thomas Kühne, Roland Netz,
Douwe Jan Bonthuis, Naveen Kaliannan, Philip Loche, Tobias Kampfrath, and Mohsen
Sajadi. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven
by Single-Cycle THz Electric Fields.” In Terahertz Emitters, Receivers, and
Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov. SPIE, 2021.
https://doi.org/10.1117/12.2594143.
ieee: 'V. Balos et al., “Ultrafast solvent-to-solvent and solvent-to-solute
energy transfer driven by single-cycle THz electric fields,” in Terahertz Emitters,
Receivers, and Applications XII, 2021, doi: 10.1117/12.2594143.'
mla: Balos, Vasileios, et al. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute
Energy Transfer Driven by Single-Cycle THz Electric Fields.” Terahertz Emitters,
Receivers, and Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov,
SPIE, 2021, doi:10.1117/12.2594143.
short: 'V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan,
P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz
Emitters, Receivers, and Applications XII, SPIE, 2021.'
date_created: 2022-10-10T08:21:46Z
date_updated: 2022-10-10T08:22:17Z
department:
- _id: '613'
doi: 10.1117/12.2594143
editor:
- first_name: Manijeh
full_name: Razeghi, Manijeh
last_name: Razeghi
- first_name: Alexei N.
full_name: Baranov, Alexei N.
last_name: Baranov
language:
- iso: eng
publication: Terahertz Emitters, Receivers, and Applications XII
publication_status: published
publisher: SPIE
status: public
title: Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by
single-cycle THz electric fields
type: conference
user_id: '71051'
year: '2021'
...
---
_id: '33656'
author:
- first_name: Mengying
full_name: Wang, Mengying
last_name: Wang
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Rodion V.
full_name: Belosludov, Rodion V.
last_name: Belosludov
- first_name: Yoshiyuki
full_name: Kawazoe, Yoshiyuki
last_name: Kawazoe
- first_name: Yunye
full_name: Liang, Yunye
last_name: Liang
citation:
ama: 'Wang M, Ranjbar A, Kühne T, Belosludov RV, Kawazoe Y, Liang Y. A theoretical
investigation of topological phase modulation in carbide MXenes: Role of image
potential states. Carbon. 2021;181:370-378. doi:10.1016/j.carbon.2021.05.026'
apa: 'Wang, M., Ranjbar, A., Kühne, T., Belosludov, R. V., Kawazoe, Y., & Liang,
Y. (2021). A theoretical investigation of topological phase modulation in carbide
MXenes: Role of image potential states. Carbon, 181, 370–378. https://doi.org/10.1016/j.carbon.2021.05.026'
bibtex: '@article{Wang_Ranjbar_Kühne_Belosludov_Kawazoe_Liang_2021, title={A theoretical
investigation of topological phase modulation in carbide MXenes: Role of image
potential states}, volume={181}, DOI={10.1016/j.carbon.2021.05.026},
journal={Carbon}, publisher={Elsevier BV}, author={Wang, Mengying and Ranjbar,
Ahmad and Kühne, Thomas and Belosludov, Rodion V. and Kawazoe, Yoshiyuki and Liang,
Yunye}, year={2021}, pages={370–378} }'
chicago: 'Wang, Mengying, Ahmad Ranjbar, Thomas Kühne, Rodion V. Belosludov, Yoshiyuki
Kawazoe, and Yunye Liang. “A Theoretical Investigation of Topological Phase Modulation
in Carbide MXenes: Role of Image Potential States.” Carbon 181 (2021):
370–78. https://doi.org/10.1016/j.carbon.2021.05.026.'
ieee: 'M. Wang, A. Ranjbar, T. Kühne, R. V. Belosludov, Y. Kawazoe, and Y. Liang,
“A theoretical investigation of topological phase modulation in carbide MXenes:
Role of image potential states,” Carbon, vol. 181, pp. 370–378, 2021, doi:
10.1016/j.carbon.2021.05.026.'
mla: 'Wang, Mengying, et al. “A Theoretical Investigation of Topological Phase Modulation
in Carbide MXenes: Role of Image Potential States.” Carbon, vol. 181, Elsevier
BV, 2021, pp. 370–78, doi:10.1016/j.carbon.2021.05.026.'
short: M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon
181 (2021) 370–378.
date_created: 2022-10-10T08:23:22Z
date_updated: 2022-10-10T08:23:35Z
department:
- _id: '613'
doi: 10.1016/j.carbon.2021.05.026
intvolume: ' 181'
keyword:
- General Chemistry
- General Materials Science
language:
- iso: eng
page: 370-378
publication: Carbon
publication_identifier:
issn:
- 0008-6223
publication_status: published
publisher: Elsevier BV
status: public
title: 'A theoretical investigation of topological phase modulation in carbide MXenes:
Role of image potential states'
type: journal_article
user_id: '71051'
volume: 181
year: '2021'
...
---
_id: '33659'
abstract:
- lang: eng
text: "Abstract\r\n We performed
a virtual materials screening to identify promising topological materials for
photocatalytic water splitting under visible light irradiation. Topological compounds
were screened based on band gap, band edge energy, and thermodynamics stability
criteria. In addition, topological types for our final candidates were computed
based on electronic structures calculated usingthe hybrid density functional theory
including exact Hartree–Fock exchange. Our final list contains materials which
have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable
for water oxidation and reduction. However, the topological types of these compounds
calculated with the hybrid functional differ from those reported previously. To
that end, we discuss the importance of computational methods for the calculation
of atomic and electronic structures in materials screening processes."
article_number: '015001'
author:
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: 'Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts
for water splitting by visible light. Journal of Physics: Materials. 2021;5(1).
doi:10.1088/2515-7639/ac363d'
apa: 'Ranjbar, A., Mirhosseini, H., & Kühne, T. (2021). On topological materials
as photocatalysts for water splitting by visible light. Journal of Physics:
Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d'
bibtex: '@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials
as photocatalysts for water splitting by visible light}, volume={5}, DOI={10.1088/2515-7639/ac363d},
number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing},
author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}, year={2021}
}'
chicago: 'Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological
Materials as Photocatalysts for Water Splitting by Visible Light.” Journal
of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.'
ieee: 'A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts
for water splitting by visible light,” Journal of Physics: Materials, vol.
5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.'
mla: 'Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water
Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no.
1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.'
short: 'A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).'
date_created: 2022-10-10T08:25:19Z
date_updated: 2022-10-10T08:25:30Z
department:
- _id: '613'
doi: 10.1088/2515-7639/ac363d
intvolume: ' 5'
issue: '1'
keyword:
- Condensed Matter Physics
- General Materials Science
- Atomic and Molecular Physics
- and Optics
language:
- iso: eng
publication: 'Journal of Physics: Materials'
publication_identifier:
issn:
- 2515-7639
publication_status: published
publisher: IOP Publishing
status: public
title: On topological materials as photocatalysts for water splitting by visible light
type: journal_article
user_id: '71051'
volume: 5
year: '2021'
...
---
_id: '33681'
article_number: '120965'
author:
- first_name: Marcos A.R.
full_name: da Silva, Marcos A.R.
last_name: da Silva
- first_name: Ingrid F.
full_name: Silva, Ingrid F.
last_name: Silva
- first_name: Qi
full_name: Xue, Qi
last_name: Xue
- first_name: Benedict T.W.
full_name: Lo, Benedict T.W.
last_name: Lo
- first_name: Nadezda V.
full_name: Tarakina, Nadezda V.
last_name: Tarakina
- first_name: Barbara N.
full_name: Nunes, Barbara N.
last_name: Nunes
- first_name: Peter
full_name: Adler, Peter
last_name: Adler
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Detlef W.
full_name: Bahnemann, Detlef W.
last_name: Bahnemann
- first_name: Nieves
full_name: López-Salas, Nieves
last_name: López-Salas
- first_name: Aleksandr
full_name: Savateev, Aleksandr
last_name: Savateev
- first_name: Caue
full_name: Ribeiro, Caue
last_name: Ribeiro
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
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: 'da Silva MAR, Silva IF, Xue Q, et al. Sustainable oxidation catalysis supported
by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst.
Applied Catalysis B: Environmental. 2021;304. doi:10.1016/j.apcatb.2021.120965'
apa: 'da Silva, M. A. R., Silva, I. F., Xue, Q., Lo, B. T. W., Tarakina, N. V.,
Nunes, B. N., Adler, P., Sahoo, S. K., Bahnemann, D. W., López-Salas, N., Savateev,
A., Ribeiro, C., Kühne, T., Antonietti, M., & Teixeira, I. F. (2021). Sustainable
oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous
single-atom photocatalyst. Applied Catalysis B: Environmental, 304,
Article 120965. https://doi.org/10.1016/j.apcatb.2021.120965'
bibtex: '@article{da Silva_Silva_Xue_Lo_Tarakina_Nunes_Adler_Sahoo_Bahnemann_López-Salas_et
al._2021, title={Sustainable oxidation catalysis supported by light: Fe-poly (heptazine
imide) as a heterogeneous single-atom photocatalyst}, volume={304}, DOI={10.1016/j.apcatb.2021.120965},
number={120965}, journal={Applied Catalysis B: Environmental}, publisher={Elsevier
BV}, author={da Silva, Marcos A.R. and Silva, Ingrid F. and Xue, Qi and Lo, Benedict
T.W. and Tarakina, Nadezda V. and Nunes, Barbara N. and Adler, Peter and Sahoo,
Sudhir K. and Bahnemann, Detlef W. and López-Salas, Nieves and et al.}, year={2021}
}'
chicago: 'Silva, Marcos A.R. da, Ingrid F. Silva, Qi Xue, Benedict T.W. Lo, Nadezda
V. Tarakina, Barbara N. Nunes, Peter Adler, et al. “Sustainable Oxidation Catalysis
Supported by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.”
Applied Catalysis B: Environmental 304 (2021). https://doi.org/10.1016/j.apcatb.2021.120965.'
ieee: 'M. A. R. da Silva et al., “Sustainable oxidation catalysis supported
by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst,”
Applied Catalysis B: Environmental, vol. 304, Art. no. 120965, 2021, doi:
10.1016/j.apcatb.2021.120965.'
mla: 'da Silva, Marcos A. R., et al. “Sustainable Oxidation Catalysis Supported
by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.”
Applied Catalysis B: Environmental, vol. 304, 120965, Elsevier BV, 2021,
doi:10.1016/j.apcatb.2021.120965.'
short: 'M.A.R. da Silva, I.F. Silva, Q. Xue, B.T.W. Lo, N.V. Tarakina, B.N. Nunes,
P. Adler, S.K. Sahoo, D.W. Bahnemann, N. López-Salas, A. Savateev, C. Ribeiro,
T. Kühne, M. Antonietti, I.F. Teixeira, Applied Catalysis B: Environmental 304
(2021).'
date_created: 2022-10-11T08:14:22Z
date_updated: 2022-10-11T08:14:47Z
department:
- _id: '613'
doi: 10.1016/j.apcatb.2021.120965
intvolume: ' 304'
keyword:
- Process Chemistry and Technology
- General Environmental Science
- Catalysis
language:
- iso: eng
publication: 'Applied Catalysis B: Environmental'
publication_identifier:
issn:
- 0926-3373
publication_status: published
publisher: Elsevier BV
status: public
title: 'Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide)
as a heterogeneous single-atom photocatalyst'
type: journal_article
user_id: '71051'
volume: 304
year: '2021'
...
---
_id: '33675'
abstract:
- lang: eng
text: The influence of different polymer side chains on the vapor phase
infiltration with TMA is investigated and supported by DFT-calculations.
author:
- first_name: Lukas
full_name: Mai, Lukas
last_name: Mai
- first_name: Dina
full_name: Maniar, Dina
last_name: Maniar
- first_name: Frederik
full_name: Zysk, Frederik
id: '14757'
last_name: Zysk
- first_name: Judith
full_name: Schöbel, Judith
last_name: Schöbel
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Katja
full_name: Loos, Katja
last_name: Loos
- first_name: Anjana
full_name: Devi, Anjana
last_name: Devi
citation:
ama: Mai L, Maniar D, Zysk F, et al. Influence of different ester side groups in
polymers on the vapor phase infiltration with trimethyl aluminum. Dalton Transactions.
2021;51(4):1384-1394. doi:10.1039/d1dt03753f
apa: Mai, L., Maniar, D., Zysk, F., Schöbel, J., Kühne, T., Loos, K., & Devi,
A. (2021). Influence of different ester side groups in polymers on the vapor phase
infiltration with trimethyl aluminum. Dalton Transactions, 51(4),
1384–1394. https://doi.org/10.1039/d1dt03753f
bibtex: '@article{Mai_Maniar_Zysk_Schöbel_Kühne_Loos_Devi_2021, title={Influence
of different ester side groups in polymers on the vapor phase infiltration with
trimethyl aluminum}, volume={51}, DOI={10.1039/d1dt03753f},
number={4}, journal={Dalton Transactions}, publisher={Royal Society of Chemistry
(RSC)}, author={Mai, Lukas and Maniar, Dina and Zysk, Frederik and Schöbel, Judith
and Kühne, Thomas and Loos, Katja and Devi, Anjana}, year={2021}, pages={1384–1394}
}'
chicago: 'Mai, Lukas, Dina Maniar, Frederik Zysk, Judith Schöbel, Thomas Kühne,
Katja Loos, and Anjana Devi. “Influence of Different Ester Side Groups in Polymers
on the Vapor Phase Infiltration with Trimethyl Aluminum.” Dalton Transactions
51, no. 4 (2021): 1384–94. https://doi.org/10.1039/d1dt03753f.'
ieee: 'L. Mai et al., “Influence of different ester side groups in polymers
on the vapor phase infiltration with trimethyl aluminum,” Dalton Transactions,
vol. 51, no. 4, pp. 1384–1394, 2021, doi: 10.1039/d1dt03753f.'
mla: Mai, Lukas, et al. “Influence of Different Ester Side Groups in Polymers on
the Vapor Phase Infiltration with Trimethyl Aluminum.” Dalton Transactions,
vol. 51, no. 4, Royal Society of Chemistry (RSC), 2021, pp. 1384–94, doi:10.1039/d1dt03753f.
short: L. Mai, D. Maniar, F. Zysk, J. Schöbel, T. Kühne, K. Loos, A. Devi, Dalton
Transactions 51 (2021) 1384–1394.
date_created: 2022-10-11T08:08:11Z
date_updated: 2022-10-11T08:08:35Z
department:
- _id: '613'
doi: 10.1039/d1dt03753f
intvolume: ' 51'
issue: '4'
keyword:
- Inorganic Chemistry
language:
- iso: eng
page: 1384-1394
publication: Dalton Transactions
publication_identifier:
issn:
- 1477-9226
- 1477-9234
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Influence of different ester side groups in polymers on the vapor phase infiltration
with trimethyl aluminum
type: journal_article
user_id: '71051'
volume: 51
year: '2021'
...
---
_id: '35327'
article_number: '121536'
article_type: original
author:
- first_name: Martin
full_name: Wortmann, Martin
last_name: Wortmann
- first_name: Klaus
full_name: Viertel, Klaus
last_name: Viertel
- first_name: Alexander
full_name: Welle, Alexander
last_name: Welle
- first_name: Waldemar
full_name: Keil, Waldemar
last_name: Keil
- first_name: Natalie
full_name: Frese, Natalie
last_name: Frese
- first_name: Wiebke
full_name: Hachmann, Wiebke
last_name: Hachmann
- first_name: Philipp
full_name: Krieger, Philipp
last_name: Krieger
- first_name: Johannes
full_name: Brikmann, Johannes
last_name: Brikmann
- first_name: Claudia
full_name: Schmidt, Claudia
id: '466'
last_name: Schmidt
orcid: 0000-0003-3179-9997
- first_name: Elmar
full_name: Moritzer, Elmar
id: '20531'
last_name: Moritzer
- first_name: Bruno
full_name: Hüsgen, Bruno
last_name: Hüsgen
citation:
ama: Wortmann M, Viertel K, Welle A, et al. Anomalous bulk diffusion of methylene
diphenyl diisocyanate in silicone elastomer. International Journal of Heat
and Mass Transfer. 2021;177. doi:10.1016/j.ijheatmasstransfer.2021.121536
apa: Wortmann, M., Viertel, K., Welle, A., Keil, W., Frese, N., Hachmann, W., Krieger,
P., Brikmann, J., Schmidt, C., Moritzer, E., & Hüsgen, B. (2021). Anomalous
bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. International
Journal of Heat and Mass Transfer, 177, Article 121536. https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536
bibtex: '@article{Wortmann_Viertel_Welle_Keil_Frese_Hachmann_Krieger_Brikmann_Schmidt_Moritzer_et
al._2021, title={Anomalous bulk diffusion of methylene diphenyl diisocyanate in
silicone elastomer}, volume={177}, DOI={10.1016/j.ijheatmasstransfer.2021.121536},
number={121536}, journal={International Journal of Heat and Mass Transfer}, publisher={Elsevier
BV}, author={Wortmann, Martin and Viertel, Klaus and Welle, Alexander and Keil,
Waldemar and Frese, Natalie and Hachmann, Wiebke and Krieger, Philipp and Brikmann,
Johannes and Schmidt, Claudia and Moritzer, Elmar and et al.}, year={2021} }'
chicago: Wortmann, Martin, Klaus Viertel, Alexander Welle, Waldemar Keil, Natalie
Frese, Wiebke Hachmann, Philipp Krieger, et al. “Anomalous Bulk Diffusion of Methylene
Diphenyl Diisocyanate in Silicone Elastomer.” International Journal of Heat
and Mass Transfer 177 (2021). https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536.
ieee: 'M. Wortmann et al., “Anomalous bulk diffusion of methylene diphenyl
diisocyanate in silicone elastomer,” International Journal of Heat and Mass
Transfer, vol. 177, Art. no. 121536, 2021, doi: 10.1016/j.ijheatmasstransfer.2021.121536.'
mla: Wortmann, Martin, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate
in Silicone Elastomer.” International Journal of Heat and Mass Transfer,
vol. 177, 121536, Elsevier BV, 2021, doi:10.1016/j.ijheatmasstransfer.2021.121536.
short: M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger,
J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat
and Mass Transfer 177 (2021).
date_created: 2023-01-06T12:20:46Z
date_updated: 2023-01-07T10:25:55Z
department:
- _id: '2'
- _id: '9'
- _id: '315'
doi: 10.1016/j.ijheatmasstransfer.2021.121536
intvolume: ' 177'
keyword:
- Fluid Flow and Transfer Processes
- Mechanical Engineering
- Condensed Matter Physics
language:
- iso: eng
publication: International Journal of Heat and Mass Transfer
publication_identifier:
issn:
- 0017-9310
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer
type: journal_article
user_id: '466'
volume: 177
year: '2021'
...
---
_id: '29189'
article_type: original
author:
- first_name: Tim
full_name: Rogge, Tim
last_name: Rogge
- first_name: Christoph
full_name: Vogelsang, Christoph
id: '4245'
last_name: Vogelsang
- first_name: Pascal
full_name: Pollmeier, Pascal
id: '44191'
last_name: Pollmeier
citation:
ama: Rogge T, Vogelsang C, Pollmeier P. Wie erleben Lehramtsstudierende unterschiedliche
Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie
zum Einsatz von Unterrichtsvideografien. Seminar. 2021;4:91-105.
apa: Rogge, T., Vogelsang, C., & Pollmeier, P. (2021). Wie erleben Lehramtsstudierende
unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer
Interviewstudie zum Einsatz von Unterrichtsvideografien. Seminar, 4,
91–105.
bibtex: '@article{Rogge_Vogelsang_Pollmeier_2021, title={Wie erleben Lehramtsstudierende
unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer
Interviewstudie zum Einsatz von Unterrichtsvideografien}, volume={4}, journal={Seminar},
author={Rogge, Tim and Vogelsang, Christoph and Pollmeier, Pascal}, year={2021},
pages={91–105} }'
chicago: 'Rogge, Tim, Christoph Vogelsang, and Pascal Pollmeier. “Wie erleben Lehramtsstudierende
unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer
Interviewstudie zum Einsatz von Unterrichtsvideografien.” Seminar 4 (2021):
91–105.'
ieee: T. Rogge, C. Vogelsang, and P. Pollmeier, “Wie erleben Lehramtsstudierende
unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer
Interviewstudie zum Einsatz von Unterrichtsvideografien,” Seminar, vol.
4, pp. 91–105, 2021.
mla: Rogge, Tim, et al. “Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen
im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von
Unterrichtsvideografien.” Seminar, vol. 4, 2021, pp. 91–105.
short: T. Rogge, C. Vogelsang, P. Pollmeier, Seminar 4 (2021) 91–105.
date_created: 2022-01-10T08:14:23Z
date_updated: 2023-01-10T13:07:18Z
department:
- _id: '386'
- _id: '33'
intvolume: ' 4'
language:
- iso: ger
main_file_link:
- url: https://bak-lehrerbildung.de/publikationen/20-jahre-pisa
page: 91-105
publication: Seminar
publication_identifier:
issn:
- 1431-2859
publication_status: published
quality_controlled: '1'
status: public
title: Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester?
– Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien
type: journal_article
user_id: '44191'
volume: 4
year: '2021'
...
---
_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: '22538'
article_number: '103256'
author:
- first_name: Maria Teresa
full_name: de los Arcos de Pedro, Maria Teresa
id: '54556'
last_name: de los Arcos de Pedro
- first_name: Hendrik
full_name: Müller, Hendrik
last_name: Müller
- first_name: Fuzeng
full_name: Wang, Fuzeng
last_name: Wang
- first_name: Varun Raj
full_name: Damerla, Varun Raj
last_name: Damerla
- first_name: Christian
full_name: Hoppe, Christian
last_name: Hoppe
- first_name: Christian
full_name: Weinberger, Christian
last_name: Weinberger
- first_name: Michael
full_name: Tiemann, Michael
last_name: Tiemann
- first_name: Guido
full_name: Grundmeier, Guido
last_name: Grundmeier
citation:
ama: de los Arcos de Pedro MT, Müller H, Wang F, et al. Review of infrared spectroscopy
techniques for the determination of internal structure in thin SiO2 films. Vibrational
Spectroscopy. Published online 2021. doi:10.1016/j.vibspec.2021.103256
apa: de los Arcos de Pedro, M. T., Müller, H., Wang, F., Damerla, V. R., Hoppe,
C., Weinberger, C., Tiemann, M., & Grundmeier, G. (2021). Review of infrared
spectroscopy techniques for the determination of internal structure in thin SiO2
films. Vibrational Spectroscopy, Article 103256. https://doi.org/10.1016/j.vibspec.2021.103256
bibtex: '@article{de los Arcos de Pedro_Müller_Wang_Damerla_Hoppe_Weinberger_Tiemann_Grundmeier_2021,
title={Review of infrared spectroscopy techniques for the determination of internal
structure in thin SiO2 films}, DOI={10.1016/j.vibspec.2021.103256},
number={103256}, journal={Vibrational Spectroscopy}, author={de los Arcos de Pedro,
Maria Teresa and Müller, Hendrik and Wang, Fuzeng and Damerla, Varun Raj and Hoppe,
Christian and Weinberger, Christian and Tiemann, Michael and Grundmeier, Guido},
year={2021} }'
chicago: Arcos de Pedro, Maria Teresa de los, Hendrik Müller, Fuzeng Wang, Varun
Raj Damerla, Christian Hoppe, Christian Weinberger, Michael Tiemann, and Guido
Grundmeier. “Review of Infrared Spectroscopy Techniques for the Determination
of Internal Structure in Thin SiO2 Films.” Vibrational Spectroscopy, 2021.
https://doi.org/10.1016/j.vibspec.2021.103256.
ieee: 'M. T. de los Arcos de Pedro et al., “Review of infrared spectroscopy
techniques for the determination of internal structure in thin SiO2 films,” Vibrational
Spectroscopy, Art. no. 103256, 2021, doi: 10.1016/j.vibspec.2021.103256.'
mla: de los Arcos de Pedro, Maria Teresa, et al. “Review of Infrared Spectroscopy
Techniques for the Determination of Internal Structure in Thin SiO2 Films.” Vibrational
Spectroscopy, 103256, 2021, doi:10.1016/j.vibspec.2021.103256.
short: M.T. de los Arcos de Pedro, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C.
Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
date_created: 2021-07-07T08:37:38Z
date_updated: 2023-01-24T08:32:59Z
department:
- _id: '302'
doi: 10.1016/j.vibspec.2021.103256
language:
- iso: eng
publication: Vibrational Spectroscopy
publication_identifier:
issn:
- 0924-2031
publication_status: published
status: public
title: Review of infrared spectroscopy techniques for the determination of internal
structure in thin SiO2 films
type: journal_article
user_id: '54556'
year: '2021'
...
---
_id: '22539'
article_number: '127417'
author:
- first_name: K.
full_name: Bobzin, K.
last_name: Bobzin
- first_name: C.
full_name: Kalscheuer, C.
last_name: Kalscheuer
- first_name: G.
full_name: Grundmeier, G.
last_name: Grundmeier
- first_name: Maria Teresa
full_name: de los Arcos de Pedro, Maria Teresa
id: '54556'
last_name: de los Arcos de Pedro
- first_name: S.
full_name: Schwiderek, S.
last_name: Schwiderek
- first_name: M.
full_name: Carlet, M.
last_name: Carlet
citation:
ama: 'Bobzin K, Kalscheuer C, Grundmeier G, de los Arcos de Pedro MT, Schwiderek
S, Carlet M. Design of a TiAlON multilayer coating: Oxidation stability and deformation
behavior. Surface and Coatings Technology. Published online 2021. doi:10.1016/j.surfcoat.2021.127417'
apa: 'Bobzin, K., Kalscheuer, C., Grundmeier, G., de los Arcos de Pedro, M. T.,
Schwiderek, S., & Carlet, M. (2021). Design of a TiAlON multilayer coating:
Oxidation stability and deformation behavior. Surface and Coatings Technology,
Article 127417. https://doi.org/10.1016/j.surfcoat.2021.127417'
bibtex: '@article{Bobzin_Kalscheuer_Grundmeier_de los Arcos de Pedro_Schwiderek_Carlet_2021,
title={Design of a TiAlON multilayer coating: Oxidation stability and deformation
behavior}, DOI={10.1016/j.surfcoat.2021.127417},
number={127417}, journal={Surface and Coatings Technology}, author={Bobzin, K.
and Kalscheuer, C. and Grundmeier, G. and de los Arcos de Pedro, Maria Teresa
and Schwiderek, S. and Carlet, M.}, year={2021} }'
chicago: 'Bobzin, K., C. Kalscheuer, G. Grundmeier, Maria Teresa de los Arcos de
Pedro, S. Schwiderek, and M. Carlet. “Design of a TiAlON Multilayer Coating: Oxidation
Stability and Deformation Behavior.” Surface and Coatings Technology, 2021.
https://doi.org/10.1016/j.surfcoat.2021.127417.'
ieee: 'K. Bobzin, C. Kalscheuer, G. Grundmeier, M. T. de los Arcos de Pedro, S.
Schwiderek, and M. Carlet, “Design of a TiAlON multilayer coating: Oxidation stability
and deformation behavior,” Surface and Coatings Technology, Art. no. 127417,
2021, doi: 10.1016/j.surfcoat.2021.127417.'
mla: 'Bobzin, K., et al. “Design of a TiAlON Multilayer Coating: Oxidation Stability
and Deformation Behavior.” Surface and Coatings Technology, 127417, 2021,
doi:10.1016/j.surfcoat.2021.127417.'
short: K. Bobzin, C. Kalscheuer, G. Grundmeier, M.T. de los Arcos de Pedro, S. Schwiderek,
M. Carlet, Surface and Coatings Technology (2021).
date_created: 2021-07-07T08:38:02Z
date_updated: 2023-01-24T08:33:14Z
department:
- _id: '302'
doi: 10.1016/j.surfcoat.2021.127417
language:
- iso: eng
publication: Surface and Coatings Technology
publication_identifier:
issn:
- 0257-8972
publication_status: published
status: public
title: 'Design of a TiAlON multilayer coating: Oxidation stability and deformation
behavior'
type: journal_article
user_id: '54556'
year: '2021'
...
---
_id: '22535'
author:
- first_name: Steffen
full_name: Knust, Steffen
last_name: Knust
- first_name: Lukas
full_name: Ruhm, Lukas
last_name: Ruhm
- first_name: Andreas
full_name: Kuhlmann, Andreas
last_name: Kuhlmann
- first_name: Dennis
full_name: Meinderink, Dennis
last_name: Meinderink
- first_name: Julius
full_name: Bürger, Julius
last_name: Bürger
- first_name: Jörg K. N.
full_name: Lindner, Jörg K. N.
last_name: Lindner
- first_name: Maria Teresa
full_name: de los Arcos de Pedro, Maria Teresa
id: '54556'
last_name: de los Arcos de Pedro
- first_name: Guido
full_name: Grundmeier, Guido
id: '194'
last_name: Grundmeier
citation:
ama: Knust S, Ruhm L, Kuhlmann A, et al. In situ backside Raman spectroscopy of
zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma.
Journal of Raman Spectroscopy. Published online 2021:1237-1245. doi:10.1002/jrs.6123
apa: Knust, S., Ruhm, L., Kuhlmann, A., Meinderink, D., Bürger, J., Lindner, J.
K. N., de los Arcos de Pedro, M. T., & Grundmeier, G. (2021). In situ backside
Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric
barrier discharge plasma. Journal of Raman Spectroscopy, 1237–1245. https://doi.org/10.1002/jrs.6123
bibtex: '@article{Knust_Ruhm_Kuhlmann_Meinderink_Bürger_Lindner_de los Arcos de
Pedro_Grundmeier_2021, title={In situ backside Raman spectroscopy of zinc oxide
nanorods in an atmospheric‐pressure dielectric barrier discharge plasma}, DOI={10.1002/jrs.6123}, journal={Journal
of Raman Spectroscopy}, author={Knust, Steffen and Ruhm, Lukas and Kuhlmann, Andreas
and Meinderink, Dennis and Bürger, Julius and Lindner, Jörg K. N. and de los Arcos
de Pedro, Maria Teresa and Grundmeier, Guido}, year={2021}, pages={1237–1245}
}'
chicago: Knust, Steffen, Lukas Ruhm, Andreas Kuhlmann, Dennis Meinderink, Julius
Bürger, Jörg K. N. Lindner, Maria Teresa de los Arcos de Pedro, and Guido Grundmeier.
“In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure
Dielectric Barrier Discharge Plasma.” Journal of Raman Spectroscopy, 2021,
1237–45. https://doi.org/10.1002/jrs.6123.
ieee: 'S. Knust et al., “In situ backside Raman spectroscopy of zinc oxide
nanorods in an atmospheric‐pressure dielectric barrier discharge plasma,” Journal
of Raman Spectroscopy, pp. 1237–1245, 2021, doi: 10.1002/jrs.6123.'
mla: Knust, Steffen, et al. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods
in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” Journal of
Raman Spectroscopy, 2021, pp. 1237–45, doi:10.1002/jrs.6123.
short: S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J.K.N. Lindner,
M.T. de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy (2021)
1237–1245.
date_created: 2021-07-07T08:34:37Z
date_updated: 2023-01-24T08:52:47Z
department:
- _id: '302'
doi: 10.1002/jrs.6123
language:
- iso: eng
page: 1237-1245
publication: Journal of Raman Spectroscopy
publication_identifier:
issn:
- 0377-0486
- 1097-4555
publication_status: published
status: public
title: In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure
dielectric barrier discharge plasma
type: journal_article
user_id: '54556'
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'
...