Theo Keane
Capturing the interplay between spin-orbit coupling and non-Condon effects on the photoabsorption spectra of Ru and Os dyes
Keane, Theo; Rees, Thomas W.; Baranoff, Etienne D.; Curchod, Basile F.E.
Authors
Abstract
In this work, we investigate the factors influencing the shape of the low-energy tail of the absorption spectrum of a homoleptic biscyclometalated ruthenium complex with terdentate ligands [Rees et al., Inorganic Chemistry, 2017, 56, 9903] by combining an advanced theoretical strategy and the synthesis of an analogous Osmium complex. The theoretical protocol merges relativistic linear-response time-dependent density functional theory and the nuclear ensemble approach, permitting to shed light on the influence of spin-orbit coupling and non-Condon effects on the theoretical absorption spectra of these rather large metal complexes.
Citation
Keane, T., Rees, T. W., Baranoff, E. D., & Curchod, B. F. (2019). Capturing the interplay between spin-orbit coupling and non-Condon effects on the photoabsorption spectra of Ru and Os dyes. Journal of Materials Chemistry C Materials for optical and electronic devices, 7(22), 6564--6570. https://doi.org/10.1039/c8tc06403b
| Journal Article Type | Article |
|---|---|
| Acceptance Date | Feb 11, 2019 |
| Online Publication Date | Feb 11, 2019 |
| Publication Date | Jun 14, 2019 |
| Deposit Date | Feb 11, 2019 |
| Publicly Available Date | Feb 11, 2020 |
| Journal | Journal of Materials Chemistry C Materials for optical and electronic devices |
| Print ISSN | 2050-7526 |
| Electronic ISSN | 2050-7534 |
| Publisher | Royal Society of Chemistry |
| Peer Reviewed | Peer Reviewed |
| Volume | 7 |
| Issue | 22 |
| Pages | 6564--6570 |
| DOI | https://doi.org/10.1039/c8tc06403b |
| Public URL | https://durham-repository.worktribe.com/output/1337857 |
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