Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum Dynamics

The mechanism of ultrafast intersystem crossing in rhenium(I) carbonyl bipyridine halide complexes Re(X)(CO)3(bpy) (X = Cl, Br, I) is studied by exploring the structural deformations when going from Franck-Condon (FC) to critical geometries in the low-lying singlet and triplet excited states and by...

Celý popis

Podrobná bibliografia

Vydané v:	Journal of chemical theory and computation Ročník 12; číslo 5; s. 2335
Hlavní autori:	Harabuchi, Yu, Eng, Julien, Gindensperger, Etienne, Taketsugu, Tetsuya, Maeda, Satoshi, Daniel, Chantal
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	United States 10.05.2016
ISSN:	1549-9626, 1549-9626
On-line prístup:	Zistit podrobnosti o prístupe
Tagy:	Pridať tag Žiadne tagy, Buďte prvý, kto otaguje tento záznam!