Naslov
Substituents impact on the mechanism of photochemical E-Z isomerization of diarylethene triazoles

Autori
Mlakić, Milena ; Mandić, Leo ; Basarić, Nikola ; Mihaljević, Branka ; Pavošević, Fabijan ; Škorić, Irena

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Central European Conference on Photochemistry, EPA Austria / Landgraf, Stephan - Bad Hofgastein, 2022, 1-1

Skup
Central European Conference on Photochemistry

Mjesto i datum
Bad Hofgastein, Austrija, 13.02.2022. - 17.02.2022

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
E-Z isomerization, diarylethenes, triazoles, quantum-chemical calculations, LFP, heterostilbenes

Sažetak
Stilbene derivatives have been in the focus of scientific interest over the years as model compounds in the fundamental investigation of their E-Z photoisomerization reaction [1]. In this work, photochemical reactivity in the Z-E isomerization for two heterostilbenes containing 1, 2, 3-triazole unit were investigated theoretically and experimentally by irradiation experiments, fluorescence and laser flash photolysis (LFP) [2]. Fluorescence measurements for ortho-methyl derivative 1 indicated that the Z → E isomerization takes place in an adiabatic reaction on the potential energy surface of the S1 state. On the contrary, the para-nitro derivative 2 undergoes the Z → E isomerization via a triplet excited state, which was detected by LFP. All experimental observations were corroborated by computations. The mechanistic investigation presented gives insight in the fundamental and simple Z → E isomerization and provides new findings which are important in the rational design of different photoreactive diarylethene derivatives used in different fields of science. [1] A. Gerwien, M. Schildhauer, S. Thumser, P. Mayer, H. Dube, Nat. Commun. 2018, 9, 2510. [2] M. Mlakić, L. Mandić, N. Basarić, B. Mihaljević, F. Pavošević, I. Škorić, J. Photochem. Photobiol. A 2022, 422, 113567.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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