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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Laser Spectroscopic Investigation of Salicylic Acids Hydrogen Bonded with Water in Supersonic Jets:Microsolvation Effects for Excited State Proton Dislocation
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Laser Spectroscopic Investigation of Salicylic Acids Hydrogen Bonded with Water in Supersonic Jets:Microsolvation Effects for Excited State Proton Dislocation

机译：超声速射流中水合水杨酸氢键的激光光谱研究：激发态质子位错的微溶剂化效应

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摘要

Geometric structures and excited-state proton dislocation of size-selected salicylic acid clusters (salicylic acid and 5-methoxysalicylic acid) with water were studied by using laser spectroscopic techniques.Fluorescence excitation,dispersed fluorescence,and infrared (IR) spectra of those clusters in supersonic jets were examined for both the electronic ground (S_0) and first excited (S_1) states.The geometric structures of the clusters were determined on the basis of the IR spectra of the OH stretch region with the help of quantum chemical calculations.The hydroxyl group of the water moiety in the clusters forms a ring involving the carboxylic group of the salicylic acid moiety.The IR spectra in So show that the intramolecular hydrogen bond in the salicylic acid moiety is still held upon cluster formation,but the phenolic OH stretch band intensity is remarkably weaken in the clusters.The IR spectra in the S_1 state and dispersed fluorescence spectra indicated that the intramolecular excited state proton dislocation is hardly affected by the microsolvation with water,in contrast with the strong suppression of the dislocation in the self-solvation.
机译：利用激光光谱技术研究了尺寸选择的水杨酸团簇（水杨酸和5-甲氧基水杨酸）的几何结构和激发态质子位错。这些团簇的荧光激发，分散荧光和红外光谱对超音速射流的电子基态（S_0）和第一激发态（S_1）进行了检查。借助量子化学计算，基于OH拉伸区域的红外光谱确定了团簇的几何结构。团簇中水部分的基团形成一个包含水杨酸部分羧基的环。So的红外光谱表明，在团簇形成后，水杨酸部分的分子内氢键仍然保持，但酚式OH伸缩带S_1态的红外光谱和分散的荧光光谱表明分子内的e强度明显减弱。质子脱位几乎不受水微溶剂化的影响，相反，自溶中对位错的抑制作用强。

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