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Study of the substitution effect and solvation effect on the trans → cis photoisomerization of cinnamate derivatives

机译:肉桂→CIS光硅酸酯化对肉桂酯衍生物的替代效应和溶剂化作用的研究

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Cinnamic acid derivatives exhibit trans (E) → cis (Z) photo-isomerization after UV irradiation. In this study, we investigated the mechanism of nonradiative decay (NRD) process involving the photo-isomerization of methylcinnamate (MC, Fig.1) and its methanol complex under jet-cooled gas phase condition. We applied several spectroscopic measurements;; laser induced fluorescence (LIF) and two-color resonant-2-photon ionization (2C-R2PI) for the UV spectroscopy and lifetime measurement of the excited state. The transient state appeared during NRD was detected by UV-DUV spectroscopy. In parallel, the photo-isomerization route was searched by global reaction route mapping with TD-DFT calculation.
机译:肉桂酸衍生物在紫外线照射后表现出反式(e)→CIS(Z)光异构化。在这项研究中,我们研究了在喷射冷却的气相条件下涉及缺乏甲基氨基甲酸甲基氨酰胺(MC,图1)的光异构化(MC,图1)和其甲醇复合物的机制。我们应用了几种光谱测量;激光诱导荧光(LiF)和双色共振-2-光子电离(2C-R2PI),用于UV光谱和激发态的寿命测量。通过UV-DUV光谱检测NRD期间出现的瞬态状态。并行地,通过通过TD-DFT计算的全局反应路由映射来搜索光异构化路线。

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