Charge-transfer excited states in phosphorescent organo-transition metal compounds: a difficult case for time dependent density functional theory?

Author:

Niehaus Thomas A.1234,Hofbeck Thomas5234,Yersin Hartmut5234

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

Reference106 articles.

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4. Physics of Organic Semiconductors, ed. W. Brütting and C. Adachi, Wiley-VCH, Weinheim, 2012

5. Development of high performance OLEDs for general lighting

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