Fast singlet excited-state deactivation pathway of flavin with a trimethoxyphenyl derivative

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F24%3A43931151" target="_blank" >RIV/60461373:22310/24:43931151 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1038/s41598-024-75239-x" target="_blank" >https://doi.org/10.1038/s41598-024-75239-x</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41598-024-75239-x" target="_blank" >10.1038/s41598-024-75239-x</a>

Result language
angličtina
Original language name
Fast singlet excited-state deactivation pathway of flavin with a trimethoxyphenyl derivative
Original language description
Incorporation of the trimethoxyphenyl group at position 7 of flavin can drastically change the photophysical properties of flavin. We show unique fast singlet 1(π,π*) excited state deactivation pathway through nonadiabatic transition to the 1(n,π*) excited- state, and subsequent deactivation to the ground electronic state (S0), closing the photocycle. This mechanism explains the exceptionally weak fluorescence and the short excited–state lifetime for the flavin trimethoxyphenyl derivative and the lack of excited triplet T1 state formation. Full recovery of flavin in its ground state takes place within a 15 ps time window after photoexcitation in a polar solvent such as acetonitrile. According to quantum chemical calculations, the C(2)-O distance elongates by 0.16 Å in the 1(n,π*) state, with respect to the ground state. Intermediate–state structures are predicted by theoretical ab initio calculations and their dynamics are investigated using broadband vis-NIR time-resolved transient absorption and fluorescence up-conversion techniques. © The Author(s) 2024.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/GF21-14200K" target="_blank" >GF21-14200K: Tailoring flavins for organic photocatalysis</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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