Conservation laws, radiative decay rates, and excited state localization in organometallic complexes with strong spin-orbit coupling

Powell, B. J. (2015) Conservation laws, radiative decay rates, and excited state localization in organometallic complexes with strong spin-orbit coupling. Scientific Reports, 5 1-11. doi:10.1038/srep10815


Author Powell, B. J.
Title Conservation laws, radiative decay rates, and excited state localization in organometallic complexes with strong spin-orbit coupling
Journal name Scientific Reports   Check publisher's open access policy
ISSN 2045-2322
Publication date 2015-06-30
Sub-type Article (original research)
DOI 10.1038/srep10815
Open Access Status DOI
Volume 5
Start page 1
End page 11
Total pages 11
Place of publication London, United Kingdom
Publisher Nature Publishing Group
Collection year 2016
Language eng
Formatted abstract
There is longstanding fundamental interest in 6-fold coordinated d6 (t26g   ) transition metal complexes such as [Ru(bpy)3]2+ and Ir(ppy)3, particularly their phosphorescence. This interest has increased with the growing realisation that many of these complexes have potential uses in applications including photovoltaics, imaging, sensing, and light-emitting diodes. In order to design new complexes with properties tailored for specific applications a detailed understanding of the low-energy excited states, particularly the lowest energy triplet state, T1, is required. Here we describe a model of pseudo-octahedral complexes based on a pseudo-angular momentum representation and show that the predictions of this model are in excellent agreement with experiment - even when the deviations from octahedral symmetry are large. This model gives a natural explanation of zero-field splitting of T1 and of the relative radiative rates of the three sublevels in terms of the conservation of time-reversal parity and total angular momentum modulo two. We show that the broad parameter regime consistent with the experimental data implies significant localization of the excited state.
Keyword Electronic states
Spectra
Phosphorescence
Transition
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Article # 10815

Document type: Journal Article
Sub-type: Article (original research)
Collections: Centre for Organic Photonics and Electronics
School of Mathematics and Physics
Official 2016 Collection
 
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Citation counts: TR Web of Science Citation Count  Cited 3 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 4 times in Scopus Article | Citations
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