Unconventional two-step spin relaxation dynamics of [Re(CO)3(im)(phen)]+ in aqueous solution
Author:
Affiliation:
1. Institute of Theoretical Chemistry
2. Faculty of Chemistry
3. University of Vienna
4. 1090 Vienna
5. Austria
Abstract
Full-dimensional excited-state dynamics simulations including explicit solvation show an unprecedented two-step intersystem crossing mechanism with electronic- and nuclear-driven components in [Re(CO)3(imidazole)(phenanthroline)]+.
Funder
Austrian Science Fund
Universität Wien
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/SC/C9SC03671G
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