STRUCTURE OF VINYL ALCOHOL - A RESOLUTION OF THE DISCREPANCY BETWEEN THEORY AND EXPERIMENT

被引：24

作者：

SMITH, BJ ^{[1
]}

RADOM, L ^{[1
]}

机构：

[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA,ACT 2600,AUSTRALIA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1990年 / 112卷 / 21期

关键词：

D O I：

10.1021/ja00177a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ab initio molecular orbital calculations have been used to derive a new theoretical r0 structure for vinyl alcohol. In addition, a reanalysts of previously reported experimental data obtained from microwave spectroscopy measurements has led to new experimental r0 and rs structures. The theoretical and experimental r0 structures are found to be in good agree. © 1990, American Chemical Society. All rights reserved.

引用

页码：7525 / 7528

页数：4

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