Possible intramolecular rearrangements of O-vinyloximes initiated by N—O bond dissociation: a quantum-chemical analysis

被引：0
|
作者：
V. A. Shagun
L. M. Sinegovskaya
D.-S. D. Toryashinova
O. A. Tarasova
B. A. Trofimov
机构：
[1] Siberian Branch of the Russian Academy of Sciences,Irkutsk Institute of Chemistry
来源：
Russian Chemical Bulletin | 2001年 / 50卷
关键词：
quantum-chemical calculations; -vinylacetoxime; iminoacetaldehyde; conformation; stationary state; dissociation; rearrangement; activation energy;
D O I：
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中图分类号：
学科分类号：
摘要：
The potential surface of conformational transitions of O-vinylacetoxime was studied and the regions of “starting” states for possible isomeric transformations with the N—O bond dissociation as the limiting stage were recognized. The activation parameters and heat effects of intramolecular rearrangement O-vinylacetoxime → iminoacetaldehyde were evaluated. Transition-state structure of the rearrangement was identified.
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页码：764 / 770
页数：6
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