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
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
收藏
页码:1923 / 1938
页数:16
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