Theoretical study of the structure of radical cations derived from substituted tricyclo[4.1.0.02,7]heptanes

被引：0

作者：

Zverev, VV ^{[1
]}

Vasin, VA

机构：

[1] Russian Acad Sci, Kazan Res Ctr, AE Arbuzov Organ & Phys Chem Inst, Kazan, Tatarstan, Russia

[2] Mordovian NP Ogarev State Univ, Saransk, Mordovia, Russia

来源：

RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2000年 / 70卷 / 06期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The PM3 procedure was applied to analyze charge and spin density distribution in radical cations of 1-X-tricyclo[4.1.0.0(2,7)]heptanes (X' = H, CO2Me, SMe; structure A) and products of their thermal isomerization with completely broken central bicyclobutane C-1-C-7 bond (B), broken peripheral C-1-C-2 (C) and C-2-C-7 bonds (D), and also 1,3-cycloheptadiene structure (E). The general trend is successive increase in the relative stability of radical cations in going from structure A to E.

引用

页码：921 / 926

页数：6

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