首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Vapor-Phase Vibrational Spectrum of Glycolic Acid,CH_2OHCOOH,in the Region 2000-8500 cm~(-1)
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Vapor-Phase Vibrational Spectrum of Glycolic Acid,CH_2OHCOOH,in the Region 2000-8500 cm~(-1)

机译:2000-8500 cm〜(-1)区乙醇酸CH_2OHCOOH的汽相振动光谱

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摘要

This work presents an analysis of the previously unobserved vapor-phase spectrum of glycolic acid in the IRear-IR region (2000-8500 cm~(-1)).The focus is on distinguishing between the O-H stretches of both the acid and alcohol functional groups by using intermediate resolution FTIR spectroscopy.Vibrational transitions due to combination bands and overtones were assigned and relative intensities were obtained.The contribution of a rotational isomer to the Vibrational spectrum of CH_2OHCOOH at 353 K is discussed.Theoretical calculations of harmonic frequencies and anharmonicities are reported on the two lowest energy conformers of glycolic acid and provide supporting evidence for the proposed assignments.
机译:这项工作对红外/近红外区域(2000-8500 cm〜(-1))中乙醇酸的以前未观察到的气相谱进行了分析,重点是区分乙醇酸和乙醇酸的OH拉伸。用中分辨FTIR光谱分析了醇官能团,给出了由结合带和泛音引起的振动跃迁并获得了相对强度,讨论了旋转异构体对353 K下CH_2OHCOOH振动光谱的贡献,谐波频率和据报道,乙醇酸的两个最低能量构象异构体存在非谐性,并为拟议的任务提供了支持性证据。

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