Mechanism of visible-light photoisomerization of a rhenium(I) carbonyl-diimine complex.
The mechanism of photoisomerization of a Re(I) 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.
Gindensperger
Etienne
E
Laboratoire de Chimie Quantique, CNRS-Université de Strasbourg, Institut de Chimie UMR 7177, 4, rue Blaise Pascal, F-67070 Strasbourg Cedex, France. egindensperger@unistra.fr
Köppel
Horst
H
Daniel
Chantal
C