Charge-transfer excited states in phosphorescent organo-transition metal compounds: a difficult case for time dependent density functional theory?-Reference-Cited by-同舟云学术

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

Published:2015 Issue:78 Volume:5 Page:63318-63329
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

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

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA12962A

Reference106 articles.

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3. Recent Progresses on Materials for Electrophosphorescent Organic Light-Emitting Devices

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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