---
_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'
...
---
_id: '41011'
abstract:
- lang: eng
text: The controlled assembly of well-defined planar nanoclusters from molecular
precursors is synthetically challenging and often plagued by the predominant formation
of 3D-structures and nanoparticles. Herein, we report planar iron hydride nanoclusters
from reactions of main group element hydrides with iron(II) bis(hexamethyldisilazide).
The structures and properties of isolated Fe4, Fe6, and Fe7 nanoplatelets and
calculated intermediates enable an unprecedented insight into the underlying building
principle and growth mechanism of iron clusters, metal monolayers, and nanoparticles.
article_type: original
author:
- first_name: Uttam
full_name: Chakraborty, Uttam
last_name: Chakraborty
- first_name: Patrick
full_name: Bügel, Patrick
last_name: Bügel
- first_name: Lorena
full_name: Fritsch, Lorena
id: '44418'
last_name: Fritsch
- first_name: Florian
full_name: Weigend, Florian
last_name: Weigend
- 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: 'Chakraborty U, Bügel P, Fritsch L, Weigend F, Bauer M, Jacobi von Wangelin
A. Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights
into Structures and Building Principles. ChemistryOpen. 2021;10(2):265-271.
doi:10.1002/open.202000307'
apa: 'Chakraborty, U., Bügel, P., Fritsch, L., Weigend, F., Bauer, M., & Jacobi
von Wangelin, A. (2021). Planar Iron Hydride Nanoclusters: Combined Spectroscopic
and Theoretical Insights into Structures and Building Principles. ChemistryOpen,
10(2), 265–271. https://doi.org/10.1002/open.202000307'
bibtex: '@article{Chakraborty_Bügel_Fritsch_Weigend_Bauer_Jacobi von Wangelin_2021,
title={Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical
Insights into Structures and Building Principles}, volume={10}, DOI={10.1002/open.202000307},
number={2}, journal={ChemistryOpen}, publisher={Wiley}, author={Chakraborty, Uttam
and Bügel, Patrick and Fritsch, Lorena and Weigend, Florian and Bauer, Matthias
and Jacobi von Wangelin, Axel}, year={2021}, pages={265–271} }'
chicago: 'Chakraborty, Uttam, Patrick Bügel, Lorena Fritsch, Florian Weigend, Matthias
Bauer, and Axel Jacobi von Wangelin. “Planar Iron Hydride Nanoclusters: Combined
Spectroscopic and Theoretical Insights into Structures and Building Principles.”
ChemistryOpen 10, no. 2 (2021): 265–71. https://doi.org/10.1002/open.202000307.'
ieee: 'U. Chakraborty, P. Bügel, L. Fritsch, F. Weigend, M. Bauer, and A. Jacobi
von Wangelin, “Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical
Insights into Structures and Building Principles,” ChemistryOpen, vol.
10, no. 2, pp. 265–271, 2021, doi: 10.1002/open.202000307.'
mla: 'Chakraborty, Uttam, et al. “Planar Iron Hydride Nanoclusters: Combined Spectroscopic
and Theoretical Insights into Structures and Building Principles.” ChemistryOpen,
vol. 10, no. 2, Wiley, 2021, pp. 265–71, doi:10.1002/open.202000307.'
short: U. Chakraborty, P. Bügel, L. Fritsch, F. Weigend, M. Bauer, A. Jacobi von
Wangelin, ChemistryOpen 10 (2021) 265–271.
date_created: 2023-01-30T17:00:36Z
date_updated: 2023-01-31T08:07:01Z
department:
- _id: '35'
- _id: '306'
doi: 10.1002/open.202000307
intvolume: ' 10'
issue: '2'
keyword:
- General Chemistry
language:
- iso: eng
page: 265-271
publication: ChemistryOpen
publication_identifier:
issn:
- 2191-1363
- 2191-1363
publication_status: published
publisher: Wiley
status: public
title: 'Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights
into Structures and Building Principles'
type: journal_article
user_id: '48467'
volume: 10
year: '2021'
...
---
_id: '35326'
abstract:
- lang: eng
text: Thermostable compartmentalized sodium-water sites through intercalated
γ-aminopropyl-dimethyl-ethoxy silane in synthetic hectorite.
article_type: original
author:
- first_name: Waldemar
full_name: Keil, Waldemar
last_name: Keil
- first_name: Kai
full_name: Zhao, Kai
last_name: Zhao
- first_name: Arthur
full_name: Oswald, Arthur
last_name: Oswald
- first_name: Wolfgang
full_name: Bremser, Wolfgang
id: '32'
last_name: Bremser
- first_name: Claudia
full_name: Schmidt, Claudia
id: '466'
last_name: Schmidt
orcid: 0000-0003-3179-9997
- first_name: Horst
full_name: Hintze-Bruening, Horst
last_name: Hintze-Bruening
citation:
ama: Keil W, Zhao K, Oswald A, Bremser W, Schmidt C, Hintze-Bruening H. Thermostable
water reservoirs in the interlayer space of a sodium hectorite clay through the
intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene. Physical Chemistry
Chemical Physics. 2021;24(1):477-487. doi:10.1039/d1cp03321b
apa: Keil, W., Zhao, K., Oswald, A., Bremser, W., Schmidt, C., & Hintze-Bruening,
H. (2021). Thermostable water reservoirs in the interlayer space of a sodium hectorite
clay through the intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene.
Physical Chemistry Chemical Physics, 24(1), 477–487. https://doi.org/10.1039/d1cp03321b
bibtex: '@article{Keil_Zhao_Oswald_Bremser_Schmidt_Hintze-Bruening_2021, title={Thermostable
water reservoirs in the interlayer space of a sodium hectorite clay through the
intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene}, volume={24},
DOI={10.1039/d1cp03321b}, number={1},
journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry
(RSC)}, author={Keil, Waldemar and Zhao, Kai and Oswald, Arthur and Bremser, Wolfgang
and Schmidt, Claudia and Hintze-Bruening, Horst}, year={2021}, pages={477–487}
}'
chicago: 'Keil, Waldemar, Kai Zhao, Arthur Oswald, Wolfgang Bremser, Claudia Schmidt,
and Horst Hintze-Bruening. “Thermostable Water Reservoirs in the Interlayer Space
of a Sodium Hectorite Clay through the Intercalation of γ-Aminopropyl(Dimethyl)Ethoxysilane
in Toluene.” Physical Chemistry Chemical Physics 24, no. 1 (2021): 477–87.
https://doi.org/10.1039/d1cp03321b.'
ieee: 'W. Keil, K. Zhao, A. Oswald, W. Bremser, C. Schmidt, and H. Hintze-Bruening,
“Thermostable water reservoirs in the interlayer space of a sodium hectorite clay
through the intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene,”
Physical Chemistry Chemical Physics, vol. 24, no. 1, pp. 477–487, 2021,
doi: 10.1039/d1cp03321b.'
mla: Keil, Waldemar, et al. “Thermostable Water Reservoirs in the Interlayer Space
of a Sodium Hectorite Clay through the Intercalation of γ-Aminopropyl(Dimethyl)Ethoxysilane
in Toluene.” Physical Chemistry Chemical Physics, vol. 24, no. 1, Royal
Society of Chemistry (RSC), 2021, pp. 477–87, doi:10.1039/d1cp03321b.
short: W. Keil, K. Zhao, A. Oswald, W. Bremser, C. Schmidt, H. Hintze-Bruening,
Physical Chemistry Chemical Physics 24 (2021) 477–487.
date_created: 2023-01-06T12:14:54Z
date_updated: 2023-02-06T09:59:31Z
department:
- _id: '2'
- _id: '315'
- _id: '301'
- _id: '321'
doi: 10.1039/d1cp03321b
intvolume: ' 24'
issue: '1'
keyword:
- Physical and Theoretical Chemistry
- General Physics and Astronomy
language:
- iso: eng
page: 477-487
publication: Physical Chemistry Chemical Physics
publication_identifier:
issn:
- 1463-9076
- 1463-9084
publication_status: published
publisher: Royal Society of Chemistry (RSC)
quality_controlled: '1'
status: public
title: Thermostable water reservoirs in the interlayer space of a sodium hectorite
clay through the intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene
type: journal_article
user_id: '32'
volume: 24
year: '2021'
...
---
_id: '41817'
abstract:
- lang: eng
text: Pseudo isocyanine chloride monomers equilibrate with H-oligomers and,
separated by a threshold, with H-oligomers and fiber-like J-aggregates. The mechanism
and thermodynamics of J-aggregate formation is interpreted with the concept of
chain growth.
author:
- first_name: Benjamin
full_name: Hämisch, Benjamin
last_name: Hämisch
- first_name: Klaus
full_name: Huber, Klaus
id: '237'
last_name: Huber
citation:
ama: Hämisch B, Huber K. Mechanism and equilibrium thermodynamics of H- and J-aggregate
formation from pseudo isocyanine chloride in water. Soft Matter. 2021;17(35):8140-8152.
doi:10.1039/d1sm00979f
apa: Hämisch, B., & Huber, K. (2021). Mechanism and equilibrium thermodynamics
of H- and J-aggregate formation from pseudo isocyanine chloride in water. Soft
Matter, 17(35), 8140–8152. https://doi.org/10.1039/d1sm00979f
bibtex: '@article{Hämisch_Huber_2021, title={Mechanism and equilibrium thermodynamics
of H- and J-aggregate formation from pseudo isocyanine chloride in water}, volume={17},
DOI={10.1039/d1sm00979f}, number={35},
journal={Soft Matter}, publisher={Royal Society of Chemistry (RSC)}, author={Hämisch,
Benjamin and Huber, Klaus}, year={2021}, pages={8140–8152} }'
chicago: 'Hämisch, Benjamin, and Klaus Huber. “Mechanism and Equilibrium Thermodynamics
of H- and J-Aggregate Formation from Pseudo Isocyanine Chloride in Water.” Soft
Matter 17, no. 35 (2021): 8140–52. https://doi.org/10.1039/d1sm00979f.'
ieee: 'B. Hämisch and K. Huber, “Mechanism and equilibrium thermodynamics of H-
and J-aggregate formation from pseudo isocyanine chloride in water,” Soft Matter,
vol. 17, no. 35, pp. 8140–8152, 2021, doi: 10.1039/d1sm00979f.'
mla: Hämisch, Benjamin, and Klaus Huber. “Mechanism and Equilibrium Thermodynamics
of H- and J-Aggregate Formation from Pseudo Isocyanine Chloride in Water.” Soft
Matter, vol. 17, no. 35, Royal Society of Chemistry (RSC), 2021, pp. 8140–52,
doi:10.1039/d1sm00979f.
short: B. Hämisch, K. Huber, Soft Matter 17 (2021) 8140–8152.
date_created: 2023-02-06T12:08:04Z
date_updated: 2023-02-06T12:08:46Z
department:
- _id: '314'
doi: 10.1039/d1sm00979f
intvolume: ' 17'
issue: '35'
keyword:
- Condensed Matter Physics
- General Chemistry
language:
- iso: eng
page: 8140-8152
publication: Soft Matter
publication_identifier:
issn:
- 1744-683X
- 1744-6848
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Mechanism and equilibrium thermodynamics of H- and J-aggregate formation from
pseudo isocyanine chloride in water
type: journal_article
user_id: '237'
volume: 17
year: '2021'
...
---
_id: '41818'
author:
- first_name: Dominik
full_name: Hense, Dominik
last_name: Hense
- first_name: Anne
full_name: Büngeler, Anne
last_name: Büngeler
- first_name: Fabian
full_name: Kollmann, Fabian
last_name: Kollmann
- first_name: Marcel
full_name: Hanke, Marcel
last_name: Hanke
- first_name: Alejandro
full_name: Orive, Alejandro
last_name: Orive
- first_name: Adrian
full_name: Keller, Adrian
last_name: Keller
- first_name: Guido
full_name: Grundmeier, Guido
last_name: Grundmeier
- first_name: Klaus
full_name: Huber, Klaus
id: '237'
last_name: Huber
- first_name: Oliver I.
full_name: Strube, Oliver I.
last_name: Strube
citation:
ama: Hense D, Büngeler A, Kollmann F, et al. Self-Assembled Fibrinogen Hydro- and
Aerogels with Fibrin-like 3D Structures. Biomacromolecules. 2021;22(10):4084-4094.
doi:10.1021/acs.biomac.1c00489
apa: Hense, D., Büngeler, A., Kollmann, F., Hanke, M., Orive, A., Keller, A., Grundmeier,
G., Huber, K., & Strube, O. I. (2021). Self-Assembled Fibrinogen Hydro- and
Aerogels with Fibrin-like 3D Structures. Biomacromolecules, 22(10),
4084–4094. https://doi.org/10.1021/acs.biomac.1c00489
bibtex: '@article{Hense_Büngeler_Kollmann_Hanke_Orive_Keller_Grundmeier_Huber_Strube_2021,
title={Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures},
volume={22}, DOI={10.1021/acs.biomac.1c00489},
number={10}, journal={Biomacromolecules}, publisher={American Chemical Society
(ACS)}, author={Hense, Dominik and Büngeler, Anne and Kollmann, Fabian and Hanke,
Marcel and Orive, Alejandro and Keller, Adrian and Grundmeier, Guido and Huber,
Klaus and Strube, Oliver I.}, year={2021}, pages={4084–4094} }'
chicago: 'Hense, Dominik, Anne Büngeler, Fabian Kollmann, Marcel Hanke, Alejandro
Orive, Adrian Keller, Guido Grundmeier, Klaus Huber, and Oliver I. Strube. “Self-Assembled
Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures.” Biomacromolecules
22, no. 10 (2021): 4084–94. https://doi.org/10.1021/acs.biomac.1c00489.'
ieee: 'D. Hense et al., “Self-Assembled Fibrinogen Hydro- and Aerogels with
Fibrin-like 3D Structures,” Biomacromolecules, vol. 22, no. 10, pp. 4084–4094,
2021, doi: 10.1021/acs.biomac.1c00489.'
mla: Hense, Dominik, et al. “Self-Assembled Fibrinogen Hydro- and Aerogels with
Fibrin-like 3D Structures.” Biomacromolecules, vol. 22, no. 10, American
Chemical Society (ACS), 2021, pp. 4084–94, doi:10.1021/acs.biomac.1c00489.
short: D. Hense, A. Büngeler, F. Kollmann, M. Hanke, A. Orive, A. Keller, G. Grundmeier,
K. Huber, O.I. Strube, Biomacromolecules 22 (2021) 4084–4094.
date_created: 2023-02-06T12:09:33Z
date_updated: 2023-02-06T12:10:19Z
department:
- _id: '314'
doi: 10.1021/acs.biomac.1c00489
intvolume: ' 22'
issue: '10'
keyword:
- Materials Chemistry
- Polymers and Plastics
- Biomaterials
- Bioengineering
language:
- iso: eng
page: 4084-4094
publication: Biomacromolecules
publication_identifier:
issn:
- 1525-7797
- 1526-4602
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures
type: journal_article
user_id: '237'
volume: 22
year: '2021'
...
---
_id: '41816'
author:
- first_name: Maximilian
full_name: Wagner, Maximilian
last_name: Wagner
- first_name: Anja
full_name: Krieger, Anja
last_name: Krieger
- first_name: Martin
full_name: Minameyer, Martin
last_name: Minameyer
- first_name: Benjamin
full_name: Hämisch, Benjamin
last_name: Hämisch
- first_name: Klaus
full_name: Huber, Klaus
id: '237'
last_name: Huber
- first_name: Thomas
full_name: Drewello, Thomas
last_name: Drewello
- first_name: Franziska
full_name: Gröhn, Franziska
last_name: Gröhn
citation:
ama: Wagner M, Krieger A, Minameyer M, et al. Multiresponsive Polymer Nanoparticles
Based on Disulfide Bonds. Macromolecules. 2021;54(6):2899-2911. doi:10.1021/acs.macromol.1c00299
apa: Wagner, M., Krieger, A., Minameyer, M., Hämisch, B., Huber, K., Drewello, T.,
& Gröhn, F. (2021). Multiresponsive Polymer Nanoparticles Based on Disulfide
Bonds. Macromolecules, 54(6), 2899–2911. https://doi.org/10.1021/acs.macromol.1c00299
bibtex: '@article{Wagner_Krieger_Minameyer_Hämisch_Huber_Drewello_Gröhn_2021, title={Multiresponsive
Polymer Nanoparticles Based on Disulfide Bonds}, volume={54}, DOI={10.1021/acs.macromol.1c00299},
number={6}, journal={Macromolecules}, publisher={American Chemical Society (ACS)},
author={Wagner, Maximilian and Krieger, Anja and Minameyer, Martin and Hämisch,
Benjamin and Huber, Klaus and Drewello, Thomas and Gröhn, Franziska}, year={2021},
pages={2899–2911} }'
chicago: 'Wagner, Maximilian, Anja Krieger, Martin Minameyer, Benjamin Hämisch,
Klaus Huber, Thomas Drewello, and Franziska Gröhn. “Multiresponsive Polymer Nanoparticles
Based on Disulfide Bonds.” Macromolecules 54, no. 6 (2021): 2899–2911.
https://doi.org/10.1021/acs.macromol.1c00299.'
ieee: 'M. Wagner et al., “Multiresponsive Polymer Nanoparticles Based on
Disulfide Bonds,” Macromolecules, vol. 54, no. 6, pp. 2899–2911, 2021,
doi: 10.1021/acs.macromol.1c00299.'
mla: Wagner, Maximilian, et al. “Multiresponsive Polymer Nanoparticles Based on
Disulfide Bonds.” Macromolecules, vol. 54, no. 6, American Chemical Society
(ACS), 2021, pp. 2899–911, doi:10.1021/acs.macromol.1c00299.
short: M. Wagner, A. Krieger, M. Minameyer, B. Hämisch, K. Huber, T. Drewello, F.
Gröhn, Macromolecules 54 (2021) 2899–2911.
date_created: 2023-02-06T12:02:19Z
date_updated: 2023-02-06T12:05:32Z
department:
- _id: '314'
doi: 10.1021/acs.macromol.1c00299
intvolume: ' 54'
issue: '6'
keyword:
- Materials Chemistry
- Inorganic Chemistry
- Polymers and Plastics
- Organic Chemistry
language:
- iso: eng
page: 2899-2911
publication: Macromolecules
publication_identifier:
issn:
- 0024-9297
- 1520-5835
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Multiresponsive Polymer Nanoparticles Based on Disulfide Bonds
type: journal_article
user_id: '237'
volume: 54
year: '2021'
...
---
_id: '41815'
author:
- first_name: Benjamin
full_name: Hämisch, Benjamin
last_name: Hämisch
- first_name: Roland
full_name: Pollak, Roland
last_name: Pollak
- first_name: Simon
full_name: Ebbinghaus, Simon
last_name: Ebbinghaus
- first_name: Klaus
full_name: Huber, Klaus
id: '237'
last_name: Huber
citation:
ama: Hämisch B, Pollak R, Ebbinghaus S, Huber K. Thermodynamic Analysis of the Self‐Assembly
of Pseudo Isocyanine Chloride in the Presence of Crowding Agents. ChemSystemsChem.
2021;3(3). doi:10.1002/syst.202000051
apa: Hämisch, B., Pollak, R., Ebbinghaus, S., & Huber, K. (2021). Thermodynamic
Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of
Crowding Agents. ChemSystemsChem, 3(3). https://doi.org/10.1002/syst.202000051
bibtex: '@article{Hämisch_Pollak_Ebbinghaus_Huber_2021, title={Thermodynamic Analysis
of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of Crowding
Agents}, volume={3}, DOI={10.1002/syst.202000051},
number={3}, journal={ChemSystemsChem}, publisher={Wiley}, author={Hämisch, Benjamin
and Pollak, Roland and Ebbinghaus, Simon and Huber, Klaus}, year={2021} }'
chicago: Hämisch, Benjamin, Roland Pollak, Simon Ebbinghaus, and Klaus Huber. “Thermodynamic
Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of
Crowding Agents.” ChemSystemsChem 3, no. 3 (2021). https://doi.org/10.1002/syst.202000051.
ieee: 'B. Hämisch, R. Pollak, S. Ebbinghaus, and K. Huber, “Thermodynamic Analysis
of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of Crowding
Agents,” ChemSystemsChem, vol. 3, no. 3, 2021, doi: 10.1002/syst.202000051.'
mla: Hämisch, Benjamin, et al. “Thermodynamic Analysis of the Self‐Assembly of Pseudo
Isocyanine Chloride in the Presence of Crowding Agents.” ChemSystemsChem,
vol. 3, no. 3, Wiley, 2021, doi:10.1002/syst.202000051.
short: B. Hämisch, R. Pollak, S. Ebbinghaus, K. Huber, ChemSystemsChem 3 (2021).
date_created: 2023-02-06T11:50:05Z
date_updated: 2023-02-06T12:06:30Z
department:
- _id: '314'
doi: 10.1002/syst.202000051
intvolume: ' 3'
issue: '3'
keyword:
- General Earth and Planetary Sciences
- General Environmental Science
language:
- iso: eng
publication: ChemSystemsChem
publication_identifier:
issn:
- 2570-4206
- 2570-4206
publication_status: published
publisher: Wiley
status: public
title: Thermodynamic Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in
the Presence of Crowding Agents
type: journal_article
user_id: '237'
volume: 3
year: '2021'
...
---
_id: '25894'
abstract:
- lang: eng
text: Powder X-ray diffraction (XRD) patterns of ordered mesoporous CMK-8 and CMK-9
carbon materials are simulated by geometric modeling. The materials are amorphous
at the atomic length scale but exhibit highly symmetric gyroidal structures at
the nanometer scale, corresponding to regular, continuous nanopore systems with
cubic symmetry. Their structures lead to characteristic low-angle XRD signatures.
We introduce a model based on geometrical considerations to simulate CMK-8 and
CMK-9 structures with variable volume fraction of carbon (vs. pore volume, i.e.,
variable 'pore wall thickness'). In addition, we also simulate carbon materials
with variable amounts of guest species (e.g., sulfur) residing in their pores.
The corresponding XRD patterns are calculated. The carbon volume fraction turns
out to have a significant impact on the relative diffraction peak intensities,
especially in case of CMK-9 carbon that features a bimodal porosity. Likewise,
the presence of guest species in the pores may also strongly affect the relative
peak intensities. Our study suggests that careful evaluation of experimental low-angle
XRD patterns of (real) CMK-8 or CMK-9 materials offers an opportunity to obtain
detailed information about the nanostructural properties in addition to the mere
identification of the pore systems geometry.
article_number: '110330'
article_type: original
author:
- first_name: Bertram
full_name: Schwind, Bertram
last_name: Schwind
- first_name: Jan-Henrik
full_name: Smått, Jan-Henrik
last_name: Smått
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
citation:
ama: Schwind B, Smått J-H, Tiemann M, Weinberger C. Modeling of gyroidal mesoporous
CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns. Microporous
and Mesoporous Materials. Published online 2021. doi:10.1016/j.micromeso.2020.110330
apa: Schwind, B., Smått, J.-H., Tiemann, M., & Weinberger, C. (2021). Modeling
of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction
patterns. Microporous and Mesoporous Materials, Article 110330. https://doi.org/10.1016/j.micromeso.2020.110330
bibtex: '@article{Schwind_Smått_Tiemann_Weinberger_2021, title={Modeling of gyroidal
mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns},
DOI={10.1016/j.micromeso.2020.110330},
number={110330}, journal={Microporous and Mesoporous Materials}, author={Schwind,
Bertram and Smått, Jan-Henrik and Tiemann, Michael and Weinberger, Christian},
year={2021} }'
chicago: Schwind, Bertram, Jan-Henrik Smått, Michael Tiemann, and Christian Weinberger.
“Modeling of Gyroidal Mesoporous CMK-8 and CMK-9 Carbon Nanostructures and Their
X-Ray Diffraction Patterns.” Microporous and Mesoporous Materials, 2021.
https://doi.org/10.1016/j.micromeso.2020.110330.
ieee: 'B. Schwind, J.-H. Smått, M. Tiemann, and C. Weinberger, “Modeling of gyroidal
mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns,”
Microporous and Mesoporous Materials, Art. no. 110330, 2021, doi: 10.1016/j.micromeso.2020.110330.'
mla: Schwind, Bertram, et al. “Modeling of Gyroidal Mesoporous CMK-8 and CMK-9 Carbon
Nanostructures and Their X-Ray Diffraction Patterns.” Microporous and Mesoporous
Materials, 110330, 2021, doi:10.1016/j.micromeso.2020.110330.
short: B. Schwind, J.-H. Smått, M. Tiemann, C. Weinberger, Microporous and Mesoporous
Materials (2021).
date_created: 2021-10-08T10:02:31Z
date_updated: 2023-03-07T10:44:44Z
department:
- _id: '35'
- _id: '2'
- _id: '307'
doi: 10.1016/j.micromeso.2020.110330
language:
- iso: eng
publication: Microporous and Mesoporous Materials
publication_identifier:
issn:
- 1387-1811
publication_status: published
quality_controlled: '1'
status: public
title: Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their
X-Ray diffraction patterns
type: journal_article
user_id: '23547'
year: '2021'
...
---
_id: '25897'
abstract:
- lang: eng
text: A comparison of infrared spectroscopic analytical approaches was made in order
to assess their applicability for internal structure characterization of SiO2
thin films. Markers for porosity and/or disorder based on the analysis of the
asymmetric stretching absorption band of SiO2 between 900−1350 cm−1 were discussed.
The shape of this band, which shows a well-defined LO–TO splitting, depends not
only on the inherent characteristics of the film under analysis but also on the
particular geometry of the IR experiment and the specific surface selection rules
of the substrate. Three types of SiO2 thin films with clearly defined porosity
ranging from dense films to mesoporous films were investigated by transmission
(at different incidence angles), direct specular reflection (at different angles),
and diffuse reflection. Two different types of substrate, metallic and semiconducting,
were used. The combined effect of substrate and specific technique in the final
shape of the band, was discussed, and the efficacy for their applicability to
the determination of porosity in thin SiO2 films was critically evaluated.
article_number: '103256'
article_type: original
author:
- first_name: Teresa
full_name: de los Arcos, Teresa
last_name: de los Arcos
- 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
id: '11848'
last_name: Weinberger
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Guido
full_name: Grundmeier, Guido
id: '194'
last_name: Grundmeier
citation:
ama: de los Arcos T, 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, 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_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, 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, 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: 'T. de los Arcos 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, 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: T. de los Arcos, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger,
M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
date_created: 2021-10-08T10:09:45Z
date_updated: 2023-03-07T10:44:06Z
department:
- _id: '35'
- _id: '2'
- _id: '307'
- _id: '302'
doi: 10.1016/j.vibspec.2021.103256
language:
- iso: eng
publication: Vibrational Spectroscopy
publication_identifier:
issn:
- 0924-2031
publication_status: published
quality_controlled: '1'
status: public
title: Review of infrared spectroscopy techniques for the determination of internal
structure in thin SiO2 films
type: journal_article
user_id: '23547'
year: '2021'
...
---
_id: '25893'
abstract:
- lang: eng
text: Tailor-made ordered mesoporous materials bear great potential in numerous
fields of application where large interfaces are required. However, the inherent
surfacechemical properties of conventional materials, such as silica, carbon or
organosilica, poses some limitations with respect to their application. Surface
manipulation by functionalization with chemically more reactive groups is one
way to improve materials for their desired purpose. Another approach is the design
of high surface-area composite materials. The surface manipulation, either by
functionalization or by introducing guest species, can be performed selectively.
This means that when several distinct, i.e. , hierarchical, types of surfaces
or pore systems exist in a material, each of them may be chosen for manipulation.
Several strategies can be identified to achieve this goal. Molecules or molecule
assemblies can be utilized to temporarily protect pores or surfaces (soft protection),
while manipulation occurs at the accessible sites. This approach is a recurring
motive in this review and can also be applied to rigid template matrices (hard
protection). Furthermore, the size of functionalization agents (size protection)
and their reactivity/diffusion (kinetic protection) into the pores can also be
utilized to achieve selectivity. In addition, challenges in the synthesis and
characterization of selectively manipulated ordered mesoporous materials are discussed.
article_number: '2001153'
article_type: review
author:
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
citation:
ama: Tiemann M, Weinberger C. Selective Modification of Hierarchical Pores and Surfaces
in Nanoporous Materials. Advanced Materials Interfaces. Published online
2021. doi:10.1002/admi.202001153
apa: Tiemann, M., & Weinberger, C. (2021). Selective Modification of Hierarchical
Pores and Surfaces in Nanoporous Materials. Advanced Materials Interfaces,
Article 2001153. https://doi.org/10.1002/admi.202001153
bibtex: '@article{Tiemann_Weinberger_2021, title={Selective Modification of Hierarchical
Pores and Surfaces in Nanoporous Materials}, DOI={10.1002/admi.202001153},
number={2001153}, journal={Advanced Materials Interfaces}, author={Tiemann, Michael
and Weinberger, Christian}, year={2021} }'
chicago: Tiemann, Michael, and Christian Weinberger. “Selective Modification of
Hierarchical Pores and Surfaces in Nanoporous Materials.” Advanced Materials
Interfaces, 2021. https://doi.org/10.1002/admi.202001153.
ieee: 'M. Tiemann and C. Weinberger, “Selective Modification of Hierarchical Pores
and Surfaces in Nanoporous Materials,” Advanced Materials Interfaces, Art.
no. 2001153, 2021, doi: 10.1002/admi.202001153.'
mla: Tiemann, Michael, and Christian Weinberger. “Selective Modification of Hierarchical
Pores and Surfaces in Nanoporous Materials.” Advanced Materials Interfaces,
2001153, 2021, doi:10.1002/admi.202001153.
short: M. Tiemann, C. Weinberger, Advanced Materials Interfaces (2021).
date_created: 2021-10-08T10:01:21Z
date_updated: 2023-03-07T10:45:40Z
department:
- _id: '35'
- _id: '2'
- _id: '307'
doi: 10.1002/admi.202001153
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://onlinelibrary.wiley.com/doi/epdf/10.1002/admi.202001153
oa: '1'
publication: Advanced Materials Interfaces
publication_identifier:
issn:
- 2196-7350
- 2196-7350
publication_status: published
quality_controlled: '1'
status: public
title: Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials
type: journal_article
user_id: '23547'
year: '2021'
...
---
_id: '25896'
abstract:
- lang: eng
text: In this report, a flame spray pyrolysis setup has been examined with various
in situ extraction methods of particle samples along the flame axis. First, two
precursor formulations leading to the formation of iron oxide nanoparticles were
used in a standardized SpraySyn burner system, and the final particle outcome
was characterized by a broad range of established powder characterization techniques
(TEM/HRTEM, SAXS, XRD, BET). The characterization of the powder products evidenced
that mostly homogeneous gas-to-particle conversion takes place when applying an
acidic precursor solution, whereas the absence of the acid leads to a dominant
droplet-to-particle pathway. Our study indicates that a droplet-to-particle-pathway
could be present even when processing the acidic formulation. However, even if
a secondary pathway might take place in this case as well, it is not dominant
and nearly negligible. Subsequently, the in situ particle structure evolution
was investigated for the dominant gas-to-particle pathway, and particles were
extracted along the flame axis for online SMPS and offline TEM/HRTEM analysis.
Due to the highly reactive conditions within the flame (high temperatures, turbulent
flow field, high particle number concentrations), the extraction of representative
samples from spray flames is challenging. In order to handle the reactive conditions,
two extraction techniques were tailored in this report. To extract an aerosol
sample within the flame for SMPS measurement, a Hole in a Tube probe was adjusted.
Thus, the mobility particle diameter as well as the corresponding distribution
widths were obtained at different heights above the burner along the flame axis.
For TEM/HRTEM image analysis, particle samples were collected thermophoretically
by means of a tailored shutter system. Since all sampling grids were protected
until reaching the flame axis and due to the low sampling time, momentary captures
of local particle structures could be extracted precisely. The particle morphologies
have clearly shown an evolution from spherical and paired particles in the flame
center to fractal and compact agglomerates at later synthesis stages.
article_number: '105722'
article_type: original
author:
- first_name: R.
full_name: Tischendorf, R.
last_name: Tischendorf
- first_name: M.
full_name: Simmler, M.
last_name: Simmler
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
- first_name: M.
full_name: Bieber, M.
last_name: Bieber
- first_name: M.
full_name: Reddemann, M.
last_name: Reddemann
- first_name: F.
full_name: Fröde, F.
last_name: Fröde
- first_name: J.
full_name: Lindner, J.
last_name: Lindner
- first_name: H.
full_name: Pitsch, H.
last_name: Pitsch
- first_name: R.
full_name: Kneer, R.
last_name: Kneer
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: H.
full_name: Nirschl, H.
last_name: Nirschl
- first_name: H.-J.
full_name: Schmid, H.-J.
last_name: Schmid
citation:
ama: Tischendorf R, Simmler M, Weinberger C, et al. Examination of the evolution
of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle
sampling techniques. Journal of Aerosol Science. Published online 2021.
doi:10.1016/j.jaerosci.2020.105722
apa: Tischendorf, R., Simmler, M., Weinberger, C., Bieber, M., Reddemann, M., Fröde,
F., Lindner, J., Pitsch, H., Kneer, R., Tiemann, M., Nirschl, H., & Schmid,
H.-J. (2021). Examination of the evolution of iron oxide nanoparticles in flame
spray pyrolysis by tailored in situ particle sampling techniques. Journal of
Aerosol Science, Article 105722. https://doi.org/10.1016/j.jaerosci.2020.105722
bibtex: '@article{Tischendorf_Simmler_Weinberger_Bieber_Reddemann_Fröde_Lindner_Pitsch_Kneer_Tiemann_et
al._2021, title={Examination of the evolution of iron oxide nanoparticles in flame
spray pyrolysis by tailored in situ particle sampling techniques}, DOI={10.1016/j.jaerosci.2020.105722},
number={105722}, journal={Journal of Aerosol Science}, author={Tischendorf, R.
and Simmler, M. and Weinberger, Christian and Bieber, M. and Reddemann, M. and
Fröde, F. and Lindner, J. and Pitsch, H. and Kneer, R. and Tiemann, Michael and
et al.}, year={2021} }'
chicago: Tischendorf, R., M. Simmler, Christian Weinberger, M. Bieber, M. Reddemann,
F. Fröde, J. Lindner, et al. “Examination of the Evolution of Iron Oxide Nanoparticles
in Flame Spray Pyrolysis by Tailored in Situ Particle Sampling Techniques.” Journal
of Aerosol Science, 2021. https://doi.org/10.1016/j.jaerosci.2020.105722.
ieee: 'R. Tischendorf et al., “Examination of the evolution of iron oxide
nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques,”
Journal of Aerosol Science, Art. no. 105722, 2021, doi: 10.1016/j.jaerosci.2020.105722.'
mla: Tischendorf, R., et al. “Examination of the Evolution of Iron Oxide Nanoparticles
in Flame Spray Pyrolysis by Tailored in Situ Particle Sampling Techniques.” Journal
of Aerosol Science, 105722, 2021, doi:10.1016/j.jaerosci.2020.105722.
short: R. Tischendorf, M. Simmler, C. Weinberger, M. Bieber, M. Reddemann, F. Fröde,
J. Lindner, H. Pitsch, R. Kneer, M. Tiemann, H. Nirschl, H.-J. Schmid, Journal
of Aerosol Science (2021).
date_created: 2021-10-08T10:07:18Z
date_updated: 2023-03-08T08:07:30Z
department:
- _id: '9'
- _id: '35'
- _id: '2'
- _id: '307'
doi: 10.1016/j.jaerosci.2020.105722
language:
- iso: eng
publication: Journal of Aerosol Science
publication_identifier:
issn:
- 0021-8502
publication_status: published
quality_controlled: '1'
status: public
title: Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis
by tailored in situ particle sampling techniques
type: journal_article
user_id: '23547'
year: '2021'
...
---
_id: '22635'
abstract:
- lang: eng
text: Photodynamic therapy (PDT) using TiO2 nanoparticles has become an important
alternative treatment for different types of cancer due to their high photocatalytic
activity and high absorption of UV-A light. To potentiate this treatment, we have
coated commercial glass plates with TiO2 nanoparticles prepared by the sol–gel
method (TiO2-m), which exhibit a remarkable selectivity for the irreversible trapping
of cancer cells. The physicochemical properties of the deposited TiO2-m nanoparticle
coatings have been characterized by a number of complementary surface-analytical
techniques and their interaction with leukemia and healthy blood cells were investigated.
Scanning electron and atomic force microscopy verify the formation of a compact
layer of TiO2-m nanoparticles. The particles are predominantly in the anatase
phase and have hydroxyl-terminated surfaces as revealed by Raman, X-ray photoelectron,
and infrared spectroscopy, as well as X-ray diffraction. We find that lymphoblastic
leukemia cells adhere to the TiO2-m coating and undergo amoeboid-like migration,
whereas lymphocytic cells show distinctly weaker interactions with the coating.
This evidences the potential of this nanomaterial coating to selectively trap
cancer cells and renders it a promising candidate for the development of future
prototypes of PDT devices for the treatment of leukemia and other types of cancers
with non-adherent cells.
article_type: original
author:
- first_name: Jaime Andres
full_name: Garcia Diosa, Jaime Andres
last_name: Garcia Diosa
- first_name: Alejandro
full_name: Gonzalez Orive, Alejandro
last_name: Gonzalez Orive
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
- first_name: Sabrina
full_name: Schwiderek, Sabrina
last_name: Schwiderek
- first_name: Steffen
full_name: Knust, Steffen
last_name: Knust
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Guido
full_name: Grundmeier, Guido
id: '194'
last_name: Grundmeier
- first_name: Adrian
full_name: Keller, Adrian
id: '48864'
last_name: Keller
orcid: 0000-0001-7139-3110
- first_name: Ruben Jesus
full_name: Camargo Amado, Ruben Jesus
last_name: Camargo Amado
citation:
ama: 'Garcia Diosa JA, Gonzalez Orive A, Weinberger C, et al. TiO2 nanoparticle
coatings on glass surfaces for the selective trapping of leukemia cells from peripheral
blood. Journal of Biomedical Materials Research Part B: Applied Biomaterials.
2021;109:2142–2153. doi:10.1002/jbm.b.34862'
apa: 'Garcia Diosa, J. A., Gonzalez Orive, A., Weinberger, C., Schwiderek, S., Knust,
S., Tiemann, M., Grundmeier, G., Keller, A., & Camargo Amado, R. J. (2021).
TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia
cells from peripheral blood. Journal of Biomedical Materials Research Part
B: Applied Biomaterials, 109, 2142–2153. https://doi.org/10.1002/jbm.b.34862'
bibtex: '@article{Garcia Diosa_Gonzalez Orive_Weinberger_Schwiderek_Knust_Tiemann_Grundmeier_Keller_Camargo
Amado_2021, title={TiO2 nanoparticle coatings on glass surfaces for the selective
trapping of leukemia cells from peripheral blood}, volume={109}, DOI={10.1002/jbm.b.34862},
journal={Journal of Biomedical Materials Research Part B: Applied Biomaterials},
author={Garcia Diosa, Jaime Andres and Gonzalez Orive, Alejandro and Weinberger,
Christian and Schwiderek, Sabrina and Knust, Steffen and Tiemann, Michael and
Grundmeier, Guido and Keller, Adrian and Camargo Amado, Ruben Jesus}, year={2021},
pages={2142–2153} }'
chicago: 'Garcia Diosa, Jaime Andres, Alejandro Gonzalez Orive, Christian Weinberger,
Sabrina Schwiderek, Steffen Knust, Michael Tiemann, Guido Grundmeier, Adrian Keller,
and Ruben Jesus Camargo Amado. “TiO2 Nanoparticle Coatings on Glass Surfaces for
the Selective Trapping of Leukemia Cells from Peripheral Blood.” Journal of
Biomedical Materials Research Part B: Applied Biomaterials 109 (2021): 2142–2153.
https://doi.org/10.1002/jbm.b.34862.'
ieee: 'J. A. Garcia Diosa et al., “TiO2 nanoparticle coatings on glass surfaces
for the selective trapping of leukemia cells from peripheral blood,” Journal
of Biomedical Materials Research Part B: Applied Biomaterials, vol. 109, pp.
2142–2153, 2021, doi: 10.1002/jbm.b.34862.'
mla: 'Garcia Diosa, Jaime Andres, et al. “TiO2 Nanoparticle Coatings on Glass Surfaces
for the Selective Trapping of Leukemia Cells from Peripheral Blood.” Journal
of Biomedical Materials Research Part B: Applied Biomaterials, vol. 109, 2021,
pp. 2142–2153, doi:10.1002/jbm.b.34862.'
short: 'J.A. Garcia Diosa, A. Gonzalez Orive, C. Weinberger, S. Schwiderek, S. Knust,
M. Tiemann, G. Grundmeier, A. Keller, R.J. Camargo Amado, Journal of Biomedical
Materials Research Part B: Applied Biomaterials 109 (2021) 2142–2153.'
date_created: 2021-07-08T11:34:21Z
date_updated: 2023-03-08T08:10:25Z
department:
- _id: '302'
- _id: '307'
- _id: '35'
- _id: '2'
doi: 10.1002/jbm.b.34862
intvolume: ' 109'
language:
- iso: eng
page: 2142–2153
publication: 'Journal of Biomedical Materials Research Part B: Applied Biomaterials'
publication_identifier:
issn:
- 1552-4973
- 1552-4981
publication_status: published
quality_controlled: '1'
status: public
title: TiO2 nanoparticle coatings on glass surfaces for the selective trapping of
leukemia cells from peripheral blood
type: journal_article
user_id: '23547'
volume: 109
year: '2021'
...
---
_id: '25892'
abstract:
- lang: eng
text: The tetratopic linker 1,1,2,2-tetrakis(4-phosphonophenyl)ethylene (H8TPPE)
was used to synthesize the three new porous metal–organic frameworks of composition
[M2(H2O)2(H2TPPE)]·xH2O (M = Al3+, Ga3+, Fe3+), denoted as M-CAU-53 under hydrothermal
reaction conditions, using the corresponding metal nitrates as starting materials.
The crystal structures of the compounds were determined ab initio from powder
X-ray diffraction data, revealing small structural differences. Proton conductivity
measurements were carried out, indicating different conductivity mechanisms. The
differences in proton conductivity could be linked to the individual structures.
In addition, a thorough characterization via thermogravimetry, elemental analysis,
IR-spectroscopy as well as N2- and H2O-sorption is given.
article_type: original
author:
- first_name: Felix
full_name: Steinke, Felix
last_name: Steinke
- first_name: Ali
full_name: Javed, Ali
last_name: Javed
- first_name: Stephan
full_name: Wöhlbrandt, Stephan
last_name: Wöhlbrandt
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Norbert
full_name: Stock, Norbert
last_name: Stock
citation:
ama: Steinke F, Javed A, Wöhlbrandt S, Tiemann M, Stock N. New isoreticular phosphonate
MOFs based on a tetratopic linker. Dalton Transactions. Published online
2021:13572-13579. doi:10.1039/d1dt02610k
apa: Steinke, F., Javed, A., Wöhlbrandt, S., Tiemann, M., & Stock, N. (2021).
New isoreticular phosphonate MOFs based on a tetratopic linker. Dalton Transactions,
13572–13579. https://doi.org/10.1039/d1dt02610k
bibtex: '@article{Steinke_Javed_Wöhlbrandt_Tiemann_Stock_2021, title={New isoreticular
phosphonate MOFs based on a tetratopic linker}, DOI={10.1039/d1dt02610k},
journal={Dalton Transactions}, author={Steinke, Felix and Javed, Ali and Wöhlbrandt,
Stephan and Tiemann, Michael and Stock, Norbert}, year={2021}, pages={13572–13579}
}'
chicago: Steinke, Felix, Ali Javed, Stephan Wöhlbrandt, Michael Tiemann, and Norbert
Stock. “New Isoreticular Phosphonate MOFs Based on a Tetratopic Linker.” Dalton
Transactions, 2021, 13572–79. https://doi.org/10.1039/d1dt02610k.
ieee: 'F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, and N. Stock, “New isoreticular
phosphonate MOFs based on a tetratopic linker,” Dalton Transactions, pp.
13572–13579, 2021, doi: 10.1039/d1dt02610k.'
mla: Steinke, Felix, et al. “New Isoreticular Phosphonate MOFs Based on a Tetratopic
Linker.” Dalton Transactions, 2021, pp. 13572–79, doi:10.1039/d1dt02610k.
short: F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, N. Stock, Dalton Transactions
(2021) 13572–13579.
date_created: 2021-10-08T09:57:34Z
date_updated: 2023-03-08T08:08:22Z
department:
- _id: '2'
- _id: '307'
doi: 10.1039/d1dt02610k
language:
- iso: eng
page: 13572-13579
publication: Dalton Transactions
publication_identifier:
issn:
- 1477-9226
- 1477-9234
publication_status: published
quality_controlled: '1'
status: public
title: New isoreticular phosphonate MOFs based on a tetratopic linker
type: journal_article
user_id: '23547'
year: '2021'
...
---
_id: '39653'
abstract:
- lang: eng
text: AbstractA detailed investigation of the energy
levels of perylene-3,4,9,10-tetracarboxylic tetraethylester as a representative
compound for the whole family of perylene esters was performed. It was revealed
via electrochemical measurements that one oxidation and two reductions take place.
The bandgaps determined via the electrochemical approach are in good agreement
with the optical bandgap obtained from the absorption spectra via a Tauc plot.
In addition, absorption spectra in dependence of the electrochemical potential
were the basis for extensive quantum-chemical calculations of the neutral, monoanionic,
and dianionic molecules. For this purpose, calculations based on density functional
theory were compared with post-Hartree–Fock methods and the CAM-B3LYP functional
proved to be the most reliable choice for the calculation of absorption spectra.
Furthermore, spectral features found experimentally could be reproduced with vibronic
calculations and allowed to understand their origins. In particular, the two lowest
energy absorption bands of the anion are not caused by absorption of two distinct
electronic states, which might have been expected from vertical excitation calculations,
but both states exhibit a strong vibronic progression resulting in contributions
to both bands.
article_number: '16097'
author:
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Joachim
full_name: Vollbrecht, Joachim
last_name: Vollbrecht
- first_name: Adam
full_name: Neuba, Adam
last_name: Neuba
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Wiebeler C, Vollbrecht J, Neuba A, Kitzerow H-S, Schumacher S. Unraveling the
electrochemical and spectroscopic properties of neutral and negatively charged
perylene tetraethylesters. Scientific Reports. 2021;11(1). doi:10.1038/s41598-021-95551-0
apa: Wiebeler, C., Vollbrecht, J., Neuba, A., Kitzerow, H.-S., & Schumacher,
S. (2021). Unraveling the electrochemical and spectroscopic properties of neutral
and negatively charged perylene tetraethylesters. Scientific Reports, 11(1),
Article 16097. https://doi.org/10.1038/s41598-021-95551-0
bibtex: '@article{Wiebeler_Vollbrecht_Neuba_Kitzerow_Schumacher_2021, title={Unraveling
the electrochemical and spectroscopic properties of neutral and negatively charged
perylene tetraethylesters}, volume={11}, DOI={10.1038/s41598-021-95551-0},
number={116097}, journal={Scientific Reports}, publisher={Springer Science and
Business Media LLC}, author={Wiebeler, Christian and Vollbrecht, Joachim and Neuba,
Adam and Kitzerow, Heinz-Siegfried and Schumacher, Stefan}, year={2021} }'
chicago: Wiebeler, Christian, Joachim Vollbrecht, Adam Neuba, Heinz-Siegfried Kitzerow,
and Stefan Schumacher. “Unraveling the Electrochemical and Spectroscopic Properties
of Neutral and Negatively Charged Perylene Tetraethylesters.” Scientific Reports
11, no. 1 (2021). https://doi.org/10.1038/s41598-021-95551-0.
ieee: 'C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, and S. Schumacher,
“Unraveling the electrochemical and spectroscopic properties of neutral and negatively
charged perylene tetraethylesters,” Scientific Reports, vol. 11, no. 1,
Art. no. 16097, 2021, doi: 10.1038/s41598-021-95551-0.'
mla: Wiebeler, Christian, et al. “Unraveling the Electrochemical and Spectroscopic
Properties of Neutral and Negatively Charged Perylene Tetraethylesters.” Scientific
Reports, vol. 11, no. 1, 16097, Springer Science and Business Media LLC, 2021,
doi:10.1038/s41598-021-95551-0.
short: C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, S. Schumacher, Scientific
Reports 11 (2021).
date_created: 2023-01-24T17:26:16Z
date_updated: 2023-04-20T15:34:34Z
department:
- _id: '313'
- _id: '230'
- _id: '638'
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
doi: 10.1038/s41598-021-95551-0
intvolume: ' 11'
issue: '1'
keyword:
- Multidisciplinary
language:
- iso: eng
publication: Scientific Reports
publication_identifier:
issn:
- 2045-2322
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: Unraveling the electrochemical and spectroscopic properties of neutral and
negatively charged perylene tetraethylesters
type: journal_article
user_id: '16199'
volume: 11
year: '2021'
...
---
_id: '45001'
author:
- first_name: E.
full_name: Roos, E.
last_name: Roos
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
citation:
ama: 'Roos E, Brehm M. A Force Field for Bio-Polymers in Ionic Liquids (BILFF) –
Part 1: [EMIm][OAc] / Water Mixtures. Phys Chem Chem Phys. 2021;23:1242-1253.
doi:10.1039/D0CP04537C'
apa: 'Roos, E., & Brehm, M. (2021). A Force Field for Bio-Polymers in Ionic
Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures. Phys. Chem. Chem. Phys.,
23, 1242–1253. https://doi.org/10.1039/D0CP04537C'
bibtex: '@article{Roos_Brehm_2021, title={A Force Field for Bio-Polymers in Ionic
Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures}, volume={23}, DOI={10.1039/D0CP04537C}, journal={Phys.
Chem. Chem. Phys.}, author={Roos, E. and Brehm, Martin}, year={2021}, pages={1242–1253}
}'
chicago: 'Roos, E., and Martin Brehm. “A Force Field for Bio-Polymers in Ionic Liquids
(BILFF) – Part 1: [EMIm][OAc] / Water Mixtures.” Phys. Chem. Chem. Phys.
23 (2021): 1242–53. https://doi.org/10.1039/D0CP04537C.'
ieee: 'E. Roos and M. Brehm, “A Force Field for Bio-Polymers in Ionic Liquids (BILFF)
– Part 1: [EMIm][OAc] / Water Mixtures,” Phys. Chem. Chem. Phys., vol.
23, pp. 1242–1253, 2021, doi: 10.1039/D0CP04537C.'
mla: 'Roos, E., and Martin Brehm. “A Force Field for Bio-Polymers in Ionic Liquids
(BILFF) – Part 1: [EMIm][OAc] / Water Mixtures.” Phys. Chem. Chem. Phys.,
vol. 23, 2021, pp. 1242–53, doi:10.1039/D0CP04537C.'
short: E. Roos, M. Brehm, Phys. Chem. Chem. Phys. 23 (2021) 1242–1253.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:46:48Z
department:
- _id: '803'
doi: 10.1039/D0CP04537C
extern: '1'
intvolume: ' 23'
language:
- iso: eng
page: 1242-1253
publication: Phys. Chem. Chem. Phys.
status: public
title: 'A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc]
/ Water Mixtures'
type: journal_article
user_id: '100167'
volume: 23
year: '2021'
...
---
_id: '45004'
author:
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: M.
full_name: Thomas, M.
last_name: Thomas
citation:
ama: Brehm M, Thomas M. Optimized Atomic Partial Charges and Radii Defined by Radical
Voronoi Tessellation of Bulk Phase Simulations. Molecules. 2021;26 (7):1875.
doi:10.3390/molecules26071875
apa: Brehm, M., & Thomas, M. (2021). Optimized Atomic Partial Charges and Radii
Defined by Radical Voronoi Tessellation of Bulk Phase Simulations. Molecules,
26 (7), 1875. https://doi.org/10.3390/molecules26071875
bibtex: '@article{Brehm_Thomas_2021, title={Optimized Atomic Partial Charges and
Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations}, volume={26
(7)}, DOI={10.3390/molecules26071875},
journal={Molecules}, author={Brehm, Martin and Thomas, M.}, year={2021}, pages={1875}
}'
chicago: 'Brehm, Martin, and M. Thomas. “Optimized Atomic Partial Charges and Radii
Defined by Radical Voronoi Tessellation of Bulk Phase Simulations.” Molecules
26 (7) (2021): 1875. https://doi.org/10.3390/molecules26071875.'
ieee: 'M. Brehm and M. Thomas, “Optimized Atomic Partial Charges and Radii Defined
by Radical Voronoi Tessellation of Bulk Phase Simulations,” Molecules,
vol. 26 (7), p. 1875, 2021, doi: 10.3390/molecules26071875.'
mla: Brehm, Martin, and M. Thomas. “Optimized Atomic Partial Charges and Radii Defined
by Radical Voronoi Tessellation of Bulk Phase Simulations.” Molecules,
vol. 26 (7), 2021, p. 1875, doi:10.3390/molecules26071875.
short: M. Brehm, M. Thomas, Molecules 26 (7) (2021) 1875.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:46:37Z
department:
- _id: '803'
doi: 10.3390/molecules26071875
extern: '1'
language:
- iso: eng
page: '1875'
publication: Molecules
status: public
title: Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation
of Bulk Phase Simulations
type: journal_article
user_id: '100167'
volume: 26 (7)
year: '2021'
...
---
_id: '45005'
author:
- first_name: S.
full_name: Roy, S.
last_name: Roy
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: S.
full_name: Sharma, S.
last_name: Sharma
- first_name: F.
full_name: Wu, F.
last_name: Wu
- first_name: D.
full_name: Maltsev, D.
last_name: Maltsev
- first_name: P.
full_name: Halstenberg, P.
last_name: Halstenberg
- first_name: L.
full_name: Gallington, L.
last_name: Gallington
- first_name: S.
full_name: Mahurin, S.
last_name: Mahurin
- first_name: S.
full_name: Dai, S.
last_name: Dai
- first_name: A.
full_name: Ivanov, A.
last_name: Ivanov
- first_name: C.
full_name: Margulis, C.
last_name: Margulis
- first_name: V.
full_name: Bryantsev, V.
last_name: Bryantsev
citation:
ama: Roy S, Brehm M, Sharma S, et al. Unraveling Local Structure of Molten Salts
via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics. J
Phys Chem B. 2021;125 (22):5971-5982. doi:10.1021/acs.jpcb.1c03786
apa: Roy, S., Brehm, M., Sharma, S., Wu, F., Maltsev, D., Halstenberg, P., Gallington,
L., Mahurin, S., Dai, S., Ivanov, A., Margulis, C., & Bryantsev, V. (2021).
Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy,
and ab initio Molecular Dynamics. J. Phys. Chem. B, 125 (22), 5971–5982.
https://doi.org/10.1021/acs.jpcb.1c03786
bibtex: '@article{Roy_Brehm_Sharma_Wu_Maltsev_Halstenberg_Gallington_Mahurin_Dai_Ivanov_et
al._2021, title={Unraveling Local Structure of Molten Salts via X-Ray Scattering,
Raman Spectroscopy, and ab initio Molecular Dynamics}, volume={125 (22)}, DOI={10.1021/acs.jpcb.1c03786},
journal={J. Phys. Chem. B}, author={Roy, S. and Brehm, Martin and Sharma, S. and
Wu, F. and Maltsev, D. and Halstenberg, P. and Gallington, L. and Mahurin, S.
and Dai, S. and Ivanov, A. and et al.}, year={2021}, pages={5971–5982} }'
chicago: 'Roy, S., Martin Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L.
Gallington, et al. “Unraveling Local Structure of Molten Salts via X-Ray Scattering,
Raman Spectroscopy, and Ab Initio Molecular Dynamics.” J. Phys. Chem. B
125 (22) (2021): 5971–82. https://doi.org/10.1021/acs.jpcb.1c03786.'
ieee: 'S. Roy et al., “Unraveling Local Structure of Molten Salts via X-Ray
Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics,” J. Phys.
Chem. B, vol. 125 (22), pp. 5971–5982, 2021, doi: 10.1021/acs.jpcb.1c03786.'
mla: Roy, S., et al. “Unraveling Local Structure of Molten Salts via X-Ray Scattering,
Raman Spectroscopy, and Ab Initio Molecular Dynamics.” J. Phys. Chem. B,
vol. 125 (22), 2021, pp. 5971–82, doi:10.1021/acs.jpcb.1c03786.
short: S. Roy, M. Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L. Gallington,
S. Mahurin, S. Dai, A. Ivanov, C. Margulis, V. Bryantsev, J. Phys. Chem. B 125
(22) (2021) 5971–5982.
date_created: 2023-05-16T20:22:05Z
date_updated: 2023-05-16T20:47:57Z
department:
- _id: '803'
doi: 10.1021/acs.jpcb.1c03786
extern: '1'
language:
- iso: eng
page: 5971-5982
publication: J. Phys. Chem. B
status: public
title: Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy,
and ab initio Molecular Dynamics
type: journal_article
user_id: '100167'
volume: 125 (22)
year: '2021'
...