Relativistic effects in phosphorescent Ir(III) complexes

Smith, A. R. G., Riley, M. J., Lo, S.-C., Burn, P. L., Gentle, I. R. and Powell, B. J. (2011) Relativistic effects in phosphorescent Ir(III) complexes. Physical Review B, 83 4: 041105-1-041105-4. doi:10.1103/PhysRevB.83.041105

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Author Smith, A. R. G.
Riley, M. J.
Lo, S.-C.
Burn, P. L.
Gentle, I. R.
Powell, B. J.
Title Relativistic effects in phosphorescent Ir(III) complexes
Journal name Physical Review B   Check publisher's open access policy
ISSN 1098-0121
Publication date 2011-01-21
Sub-type Article (original research)
DOI 10.1103/PhysRevB.83.041105
Open Access Status File (Publisher version)
Volume 83
Issue 4
Start page 041105-1
End page 041105-4
Total pages 4
Place of publication New York, NY, U.S.A.
Publisher American Physical Society
Collection year 2012
Language eng
Formatted abstract
We compare high field magnetic circular dichroism, absorption, and photoluminescence spectra for Ir(ptz)3 with time-dependent density functional theory. By gradually turning on the relativistic effects we identify several distinct relativistic effects in the spectra of this complex. We show that relativistic effects must be included to accurately predict the low-temperature spectra. This leads to new insights into the low-lying excitations responsible for the observed phosphorescence, and suggests new avenues to improve the performance of organic light emitting diodes.
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Article number 041105

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2012 Collection
School of Chemistry and Molecular Biosciences
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Citation counts: TR Web of Science Citation Count  Cited 33 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 24 times in Scopus Article | Citations
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Created: Mon, 14 Feb 2011, 12:12:39 EST by Mark J Riley on behalf of School of Chemistry & Molecular Biosciences