STRUCTURE AND VIBRATIONAL-SPECTRUM OF ISOPROPENYL RADICAL, H2C-C=CH2 - ABINITIO MO STUDY AND NORMAL COORDINATE ANALYSIS

被引：2

作者：

AVAKYAN, VG

机构：

[1] Institute of Petrochemical Synthesis, Academy of Sciences, 117912 GSP Moscow

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1990年 / 218卷

关键词：

D O I：

10.1016/0022-2860(90)80250-N

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：

The structure of isopropenyl radical has been calculated using ab initio MO theory. It was found that CC bond is longer and CC bond is shorter than those in propene. Vibrational frequencies of isopropenyl radical (CC stretching, HCH bending, CH2 out of plane wagging, and CCC bending) as determined by the normal coordinate calculation have the lower values than in propene IR spectrum. © 1990.

引用

页码：99 / 104

页数：6

共 15 条

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