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酚酸的构象图

Conformational Map of Phenolic Acids.

作者信息

Cortijo Vanessa, Alonso Elena R, Mata Santiago, Alonso José L

机构信息

Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Parque Cientı́fico UVa, Unidad Asociada CSIC, Universidad de Valladolid , 47011, Valladolid, Spain .

出版信息

J Phys Chem A. 2018 Jan 18;122(2):646-651. doi: 10.1021/acs.jpca.7b08882. Epub 2018 Jan 5.

DOI:10.1021/acs.jpca.7b08882
PMID:29215883
Abstract

The benefits of vaporization by laser ablation and the high resolution and sensitivity attained by the chirped pulse Fourier transform microwave spectroscopy CP-FTMW have provided the first conformational map of the simplest phenolic acids of trans-cinnamic and p-coumaric. Two conformers of trans-cinnamic acid and four conformers of trans-p-coumaric acid have been characterized under the isolation conditions of a supersonic expansion. The spectroscopic constants derived from the analysis of the rotational spectra compared with those predicted theoretically provide an unmatched means to achieve an unambiguous identification of the observed species.

摘要

激光烧蚀汽化的优势以及啁啾脉冲傅里叶变换微波光谱法(CP-FTMW)所达到的高分辨率和灵敏度,给出了反式肉桂酸和对香豆酸这两种最简单酚酸的首张构象图。在超声速膨胀的隔离条件下,已对反式肉桂酸的两种构象异构体和反式对香豆酸的四种构象异构体进行了表征。通过对转动光谱分析得出的光谱常数与理论预测值相比较,为明确鉴定所观测的物种提供了一种无与伦比的方法。

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