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- Title
Theoretical insights into the impact of hydrogen bonding interactions and proton-transfer phenomena on the excited state of HBT-TMS fluorophore: Solvent-induced effects.
- Authors
Chaozheng Li; Rivaille Liu; Hao Dong
- Abstract
Inspired by the design of distinguished optical materials, novel organic molecules exhibiting excited state intramolecular proton-transfer (ESIPT) characteristics have emerged as a prominent research topic. In this study, we focus on investigating the excited state dynamics of 2-(5-trifluoromethyl-benzothiazol2-yl)-4,6-bis-trimethylsilanylethynyl-phenol (HBT-TMS), a novel color-tunable multifunctional ESIPT emitter. By considering four different aprotic solvents with varying polarities, we confirm the influence of solvent polarity on photoinduced hydrogen bonding interactions, charge redistribution, and associated ESIPT phenomena. Through comparison and quantification of the magnitudes of excited state reaction barriers in different solvents, our findings suggest that highly polar solvents facilitate the ESIPT reaction for HBT-TMS fluorophore.
- Subjects
HYDROGEN bonding interactions; EXCITED states; INTRAMOLECULAR proton transfer reactions; PROTON transfer reactions; APROTIC solvents; POLAR solvents; OPTICAL materials
- Publication
Journal of the Chinese Chemical Society, 2024, Vol 71, Issue 3, p292
- ISSN
0009-4536
- Publication type
Article
- DOI
10.1002/jccs.202300422