Strong Raman activities of low frequency vibrational modes in alkylbenzenes:: conformation specific σ-π interactions between alkyl chain and benzene ring

被引：17

作者：

Ohno, K ^{[1
]}

Kimura, J ^{[1
]}

Yamakita, Y ^{[1
]}

机构：

[1] Tohoku Univ, Grad Sch Sci, Dept Chem, Aoba Ku, Sendai, Miyagi 9808578, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 342卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(01)00577-2

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：

Non-resonant Raman intensities for alkylbenzenes were studied based on FT-Raman spectra and density functional calculations. Strong bands were found for a bending mode and a torsion mode in a range of 19-217 cm(-1), where no strong bands were observed for benzene and alkanes. In a staggered form of ethylbenzene and a gauche form of n-propylbenzene, non-totally symmetric torsion modes of 19 and 38 cm(-1) gave remarkably enhanced Raman intensities much stronger than ring-breathing modes. Strong Raman activities of low frequency modes in alkylbenzenes can be ascribed to stereo-specific sigma-pi interactions between alkyl chain and benzene ring. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：207 / 219

页数：13

共 33 条

[1] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].