Nonadiabatic excited-state dynamics of ReCl(CO)<sub>3</sub>(bpy) in two different solvents-Reference-Cited by-同舟云学术

Nonadiabatic excited-state dynamics of ReCl(CO)₃(bpy) in two different solvents

Published:2022 Issue:42 Volume:24 Page:25864-25877
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Šrut Adam¹²^ORCID,Mai Sebastian³^ORCID,Sazanovich Igor V.⁴^ORCID,Heyda Jan¹²^ORCID,Vlček Antonín¹⁵,González Leticia³^ORCID,Záliš Stanislav¹^ORCID

Affiliation:

1. J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague, Czech Republic

2. Department of Physical Chemistry, University of Chemistry and Technology, Prague, 166 28 Prague, Czech Republic

3. Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Straße 17, 1090 Vienna, Austria

4. Central Laser Facility, Research Complex at Harwell, STFC, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxfordshire, OX11 0QX, UK

5. Department of Chemistry, Queen Mary University of London, London, E1 4NS, UK

Abstract

Hybrid QM/MM nonadiabatic dynamics of the complex ReCl(CO)3(bpy) (bpy = 2,2-bipyridine) on spin-mixed potential energy surfaces was carried out in acetonitrile and dimethylsulfoxide.

Funder

Grantová Agentura České Republiky

Science and Technology Facilities Council

Ministerstvo Školství, Mládeže a Tělovýchovy

OeAD-GmbH

Universität Wien

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02981B

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