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Probe of Alcohol Structures in the Gas and Liquid States Using C–H Stretching Raman Spectroscopy

机译:气相拉伸拉曼光谱研究气态和液态醇结构

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摘要

Vibrational spectroscopy is a powerful tool for probing molecular structures and dynamics since it offers a unique fingerprint that allows molecular identification. One of important aspects of applying vibrational spectroscopy is to develop the probes that can characterize the related properties of molecules such as the conformation and intermolecular interaction. Many examples of vibrational probes have appeared in the literature, including the azide group (–N3), amide group (–CONH2), nitrile groups (–CN), hydroxyl group (–OH), –CH group and so on. Among these probes, the –CH group is an excellent one since it is ubiquitous in organic and biological molecules and the C–H stretching vibrational spectrum is extraordinarily sensitive to the local molecular environment. However, one challenge encountered in the application of C–H probes arises from the difficulty in the accurate assignment due to spectral congestion in the C–H stretching region. In this paper, recent advances in the complete assignment of C–H stretching spectra of aliphatic alcohols and the utility of C–H vibration as a probe of the conformation and weak intermolecular interaction are outlined. These results fully demonstrated the potential of the –CH chemical group as a molecular probe.
机译:振动光谱是探测分子结构和动力学的有力工具,因为它提供了可以进行分子鉴定的独特指纹。应用振动光谱学的重要方面之一是开发可以表征分子相关特性(例如构象和分子间相互作用)的探针。振动探针的许多例子已经出现在文献中,包括叠氮基(–N3),酰胺基(–CONH2),腈基(–CN),羟基(–OH),– CH基等。在这些探针中,–CH基团是一种出色的探针,因为它在有机和生物分子中无处不在,并且C–H伸缩振动谱对局部分子环境极为敏感。但是,由于C–H拉伸区域中的光谱拥塞,在C–H探针的应用中遇到的一个挑战来自于准确分配的困难。在本文中,概述了脂肪醇的C–H拉伸光谱的完全分配以及C–H振动作为构象和弱分子间相互作用的探针的实用性的最新进展。这些结果充分证明了–CH化学基团作为分子探针的潜力。

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