Charge-transfer excited states in phosphorescent organo-transition metal compounds: a difficult case for time dependent density functional theory?
Author:
Affiliation:
1. Institut für Theoretische Physik
2. Universität Regensburg
3. 93040 Regensburg
4. Germany
5. Institut für Physikalische Chemie
Abstract
A series of 17 platinum(ii) and iridium(iii) complexes have been investigated theoretically and experimentally to elucidate the charge-transfer character in emission from the lowest triplet state. TDDFT is found to be surprisingly accurate.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA12962A
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