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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Infrared Spectroscopy of Hydrogen-Bonded 2-Fluoropyridine-Water Clusters in Supersonic Jets
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Infrared Spectroscopy of Hydrogen-Bonded 2-Fluoropyridine-Water Clusters in Supersonic Jets

机译：超音速喷射中氢键合的2-氟吡啶-水团簇的红外光谱

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摘要

The hydrogen-bonded clusters of 2-fluoropyridine with water were studied experimentally in a supersonic free jet and analyzed with molecular orbital calculations.The IR spectra of 2-fluoropyridine-(H_2O)_n(n = 1 to 3)clusters were observed with a fluorescence detected infrared depletion(FDIR)technique in the OH and CH stretching vibrational regions.The frequencies of OH stretching vibrations show that water molecules bond to the nitrogen atom of 2-fluoropyridine in the clusters.The hydrogen-bond formation between aromatic CH and O was evidenced in the 1:2 and 1:3 clusters from the experimental and calculated results.The overtone vibrations of the OH bending mode in hydrogen-bonded water molecules appear in the IR spectra,and these frequencies become higher with the increase of the number of water molecules in the clusters.The band structure of the IR spectra in the CH stretching region changes depending on the number of coordinating water molecules.
机译：在超音速自由射流中对2-氟吡啶与水的氢键簇进行了实验研究，并通过分子轨道计算进行了分析。荧光检测到OH和CH伸缩振动区域的红外耗尽（FDIR）技术.OH伸缩振动的频率表明，水分子键合到簇中的2-氟吡啶的氮原子上。芳香族CH和O之间的氢键形成由实验和计算结果在1：2和1：3簇中得到证明。氢键水分子中OH弯曲模式的泛音振动出现在红外光谱中，并且这些频率随着数量的增加而升高CH拉伸区域中红外光谱的能带结构根据配位水分子的数量而变化。

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