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-benzothiazol-2-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 photo-induced 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.

中文翻译：

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氢键相互作用和质子转移现象对 HBT-TMS 荧光团激发态影响的理论见解：溶剂诱导效应

受杰出光学材料设计的启发，表现出激发态分子内质子转移（ESIPT）特性的新型有机分子已成为一个突出的研究课题。在本研究中，我们重点研究 2-(5-三氟甲基-苯并噻唑-2-基)-4,6-双-三甲基硅烷基乙炔基苯酚 (HBT-TMS) 的激发态动力学，这是一种新型颜色可调的多功能 ESIPT 发射体。通过考虑四种不同极性的非质子溶剂，我们确认了溶剂极性对光诱导氢键相互作用、电荷重新分布和相关 ESIPT 现象的影响。通过比较和量化不同溶剂中激发态反应势垒的大小，我们的研究结果表明，高极性溶剂有利于 HBT-TMS 荧光团的 ESIPT 反应。