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
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D O I：
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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.
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页码：921 / 926
页数：6
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