DFT/TD-DFT study of electronic and phosphorescent properties in cycloplatinated complexes: implications for OLEDs-Reference-Cited by-同舟云学术

DFT/TD-DFT study of electronic and phosphorescent properties in cycloplatinated complexes: implications for OLEDs

Published:2022 Issue:53 Volume:12 Page:34217-34225
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Moradpour Batool¹,Omidyan Reza¹^ORCID

Affiliation:

1. Department of Chemistry, University of Isfahan, 81746-73441 Isfahan, Iran

Abstract

High level density functional and time-dependent density functional (DFT, TD-DFT) theoretical methods have been employed to investigate the photophysical properties of 5 inorganic compounds resulting from Pt(ii) and ppy (2-phenyl-pyridine) ligands.

Funder

University of Isfahan

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA06880J

Reference48 articles.

1. Phosphorescent cyclometalated complexes for efficient blue organic light-emitting diodes

2. The effect of substituted moiety on the optoelectronic and photophysical properties of tris (phenylbenzimidazolinato) Ir (III) carbene complexes and the OLED performance: a theoretical study

3. Theoretical study of electronic structures and opto-electronic properties of iridium(III) complexes containing benzoxazole derivatives and different ancillary β-diketonate ligands

4. The effect of substituted 1,2,4-triazole moiety on the emission, phosphorescent properties of the blue emitting heteroleptic iridium(iii) complexes and the OLED performance: a theoretical study

5. Are Re(i) phenanthroline complexes suitable candidates for OLEDs? Answers from DFT and TD-DFT investigations

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