Ligand substitution and conformational effects on the ultrafast luminescent decay of [Re(CO)3(phen)(L)]+ (L = imidazole, pyridine): non-adiabatic quantum dynamics-Reference-Cited by-同舟云学术

Ligand substitution and conformational effects on the ultrafast luminescent decay of [Re(CO)3(phen)(L)]+ (L = imidazole, pyridine): non-adiabatic quantum dynamics

Published:2018 Issue:2 Volume:20 Page:1134-1141
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fumanal M.¹²³⁴^ORCID,Gindensperger E.¹²³⁴,Daniel C.¹²³⁴^ORCID

Affiliation:

1. Laboratoire de Chimie Quantique

2. Institut de Chimie Strasbourg UMR-7177 CNRS/Université de Strasbourg 1 Rue Blaise Pascal BP 296/R8

3. F-67008 Strasbourg

4. France

Abstract

The C_s conformers of [Re(CO)₃(phen)(L)]⁺ (L = imidazole, pyridine) complexes are investigated by means of density functional theory (DFT/time-dependent DFT (TD-DFT)) electronic structure calculations and non-adiabatic quantum dynamics including spin–orbit coupling (SOC).

Funder

Labex

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07540E

Reference47 articles.

1. Tryptophan-Accelerated Electron Flow Through Proteins

2. Photoinduced Intramolecular Tryptophan Oxidation and Excited-State Behavior of [Re(L-AA)(CO)3(α-diimine)]+(L = Pyridine or Imidazole, AA = Tryptophan, Tyrosine, Phenylalanine)