Rotational isomerism of butanols:: Infrared, near-infrared and DFT study

被引：36

作者：

Czarnecki, Miroslaw A. ^{[1
]}

Wojtkow, Dagmara ^{[1
]}

Haufa, Krzysztof ^{[1
]}

机构：

[1] Univ Wroclaw, Fac Chem, PL-50383 Wroclaw, Poland

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 431卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2006.09.096

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：

Infrared and near-infrared spectra of all butanols were recorded in dilute CCl4 solutions as a function of temperature. The stability of the trans and gauche conformers was evaluated from the temperature dependence of the relative band intensities. The spectra reflect various conformations of the free OH group, whereas the influence of C-C rotations on V-OH and 2v(OH) bands was not observed. The position of these bands determines the type of conformer resulting from immediate environment of OH group, whereas the relative population of particular conformers strongly depends on steric effects of the groups in alpha- and beta-position. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：294 / 299

页数：6

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