Issue 43, 2010
From the journal:

Chemical Communications

Mechanism of visible-light photoisomerization of a rhenium(i) carbonyl–diimine complex

Etienne Gindensperger,*a   Horst Köppelb  and  Chantal Daniela  

* Corresponding authors

a Laboratoire de Chimie Quantique, CNRS-Université de Strasbourg, Institut de Chimie UMR 7177, 4, rue Blaise Pascal, F-67070 Strasbourg Cedex, France
E-mail: egindensperger@unistra.fr

b Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany

Abstract

The mechanism of photoisomerization of a ReI carbonyl–diimine complex under visible-light irradiation is deciphered by means of ab initio calculations. By highlighting the key role of triplet states as well as spin–orbit and vibronic couplings, we provide a clear picture of this complicated multi-step process.

Graphical abstract: Mechanism of visible-light photoisomerization of a rhenium(i) carbonyl–diimine complex

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Article information

DOI
https://doi.org/10.1039/C0CC02661A
Article type
Communication
Submitted
19 Jul 2010
Accepted
08 Sep 2010
First published
28 Sep 2010

Chem. Commun., 2010,46, 8225-8227

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Mechanism of visible-light photoisomerization of a rhenium(I) carbonyl–diimine complex

E. Gindensperger, H. Köppel and C. Daniel, Chem. Commun., 2010, 46, 8225 DOI: 10.1039/C0CC02661A

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