VIBRATIONAL AND CONFORMATIONAL-ANALYSIS OF 2-METHYL-1-BUTENE

被引：8

作者：

CROWDER, GA

机构：

[1] Department of Chemistry Louisiana Tech University, Ruston

来源：

SPECTROSCOPY LETTERS | 1993年 / 26卷 / 10期

关键词：

2-METHYL-1-BUTENE; CONFORMATIONAL ANALYSIS; NORMAL COORDINATE CALCULATIONS; MOLECULAR MECHANICS CALCULATIONS; SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS;

D O I：

10.1080/00387019308011642

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Normal coordinate calculations were made for 2-methyl-1-butene to aid in making vibrational assignments for both conformers. A partial solid-state IR spectrum was obtained that showed the presence of only the trans (C-s) conformer. Molecular mechanics and semi-empirical molecular orbital calculations were also made for both conformers.

引用

页码：1923 / 1938

页数：16

共 17 条

[1]

ALLINGER NL, QUANTUM CHEM EXCHANG

[2]

[Anonymous], 1970, THERMOCHEMISTRY ORGA

[3] PROTON MAGNETIC RESONANCE SPECTRA OF OLEFINS .1. PROPENE, BUTENE-1 AND HEXENE-1 [J].