Quantum chemical interpretation of ultrafast luminescence decay and intersystem crossings in rhenium(I) carbonyl bipyridine complexes

Ultrafast luminescence decay and intersystem crossing processes through the seven low-lying singlet and triplet excited states of [Re (X)(CO)3(bpy)] (X = Cl, Br, I; bpy = 2,2'-bipyridine) are interpreted on the basis of time-dependent density functional theory (TD-DFT) electronic structure calc...

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Bibliographic Details

Published in:	Journal of chemical theory and computation Vol. 11; no. 1; pp. 99 - 110
Main Authors:	Gourlaouen, Christophe, Eng, Julien, Otsuka, Miho, Gindensperger, Etienne, Daniel, Chantal
Format:	Journal Article
Language:	English
Published:	United States 13.01.2015
ISSN:	1549-9626
Online Access:	Get more information
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