VIBRATIONAL RAMAN OPTICAL-ACTIVITY IN (R)-(+)-3-METHYLCYCLOPENTANONE - EXPERIMENTAL AND AB-INITIO THEORETICAL-STUDIES

被引：24

作者：

POLAVARAPU, PL ^{[1
]}

BOSE, PK ^{[1
]}

HECHT, L ^{[1
]}

BARRON, LD ^{[1
]}

机构：

[1] UNIV GLASGOW,DEPT CHEM,GLASGOW G12 8QQ,SCOTLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 43期

关键词：

D O I：

10.1021/j100145a016

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：

Vibrational Raman optical activity (ROA) spectra of 3-methylcyclopentanone with excellent signal-to-noise ratio obtained on a new ROA spectrometer and corresponding ab initio theoretical ROA spectra obtained with 6-31 G and 6-31 G** basis sets are presented. The experimental ROA spectra for the (+) enantiomer compares well with the predicted ROA spectra for the (R) configuration of 3-methylcyclopentanone. This allows us to confidently suggest the origins of the major ROA signals present in the experimental spectrum.

引用

页码：11211 / 11215

页数：5

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