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Synthesis, Crystal Structure, Photophysical Properties and Theoretical Study of a New Iridium(III) Complex Containing 2-phenylbenzothiazole Ligand.
- Source :
-
Acta Chimica Slovenica . 2015, Vol. 62 Issue 4, p917-922. 6p. - Publication Year :
- 2015
-
Abstract
- A new bis-cyclometalated iridium(III) complex [Ir(dmabt)2(bipy)][PF6] (3) (dmabt = 4-(benzo[d]thiazol-2-yl)-N,N-dimethylaniline, bipy = 2,2'-bipyridine) has been synthesized and fully characterized. The structure of complex 3 has been determined by X-ray analyses which shows that the central iridium(III) ion assumes distorted octahedral geometry. The photoluminescence spectrum exhibits orange emission maximum at 612 nm with quantum yield of 17% at 298 K. The frontier molecular orbital diagrams and the spin-allowed singlet-singlet electronic transitions of 3 have been calculated with density functional theory (DFT) and time-dependent DFT (TD-DFT), and the UV-Vis spectra are discussed based on the theoretical calculations. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 13180207
- Volume :
- 62
- Issue :
- 4
- Database :
- Academic Search Index
- Journal :
- Acta Chimica Slovenica
- Publication Type :
- Academic Journal
- Accession number :
- 112468486
- Full Text :
- https://doi.org/10.17344/acsi.2015.1744