An infrared and Raman spectroscopic study of crystalline trans-crotonic acid

被引：16

作者：

Fausto, R

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1996年 / 377卷 / 02期

关键词：

trans-crotonic acid; molecular structure; infrared spectrum; Raman spectrum; molecular orbital calculations;

D O I：

10.1016/0022-2860(95)09119-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Trans-crotonic acid was studied by FT-IR and Raman spectroscopies. A detailed assignment of the vibrational spectra in the crystalline phase (where dimeric units exist) is reported and discussed in comparison with that of the monomer isolated in a low temperature argon matrix. Results of molecular orbital calculations (semiempirical AM1 and ab initio 6-31G*) on both monomeric and dimeric trans-crotonic acid are also presented and used to help the interpretation of the spectroscopic data.

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页码：181 / 192

页数：12

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