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Behind the scenes of spin-forbidden decay pathways in transition metal complexes

Permanent link
https://hdl.handle.net/10037/21505
DOI
https://doi.org/10.1039/D0CP05108J
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Date
2020-11-10
Type
Journal article
Tidsskriftartikkel
Peer reviewed

Author
Moitra, Torsha; Karak, Pijush; Chakraborty, Sayantani; Ruud, Kenneth; Chakrabarti, Swapan
Abstract
The interpretation of the ultrafast photophysics of transition metal complexes following photo-absorption is quite involved as the heavy metal center leads to a complicated and entangled singlet–triplet manifold. This opens up multiple pathways for deactivation, often with competitive rates. As a result, intersystem crossing (ISC) and phosphorescence are commonly observed in transition metal complexes. A detailed understanding of such an excited-state structure and dynamics calls for state-of-the-art experimental and theoretical methodologies. In this review, we delve into the inability of non-relativistic quantum theory to describe spin-forbidden transitions, which can be overcome by taking into account spin–orbit coupling, whose importance grows with increasing atomic number. We present the quantum chemical theory of phosphorescence and ISC together with illustrative examples. Finally, a few applications are highlighted, bridging the gap between theoretical studies and experimental applications, such as photofunctional materials.
Publisher
Royal Society of Chemistry
Citation
Moitra T, Karak, Chakraborty, Ruud K, Chakrabarti S. Behind the scenes of spin-forbidden decay pathways in transition metal complexes. Physical Chemistry, Chemical Physics - PCCP. 2021;23:59-81
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  • Artikler, rapporter og annet (kjemi) [565]
© Royal Society of Chemistry 2021

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