Study of lithium cation perturbation on the spin density distribution in sym-Trinitrobenzene radical anion

被引：6
|
作者：
Gupta, R. K. [1 ]
Subhamanian, J.
Hay, N. K.
Nahaslmhan, P. T.
机构：
[1] Indian Inst Technol, Dept Phys, Kanpur 208016, Uttar Pradesh, India
[2] Indian Inst Technol, Dept Chem, Kanpur 208016, Uttar Pradesh, India
来源：
CHEMICAL PHYSICS LETTERS | 1968年 / 2卷 / 03期
关键词：
D O I：
10.1016/0009-2614(68)85028-6
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 effect of lithium cation association on the spin density distribution in sym-Trinitrobenzene radical anion has been studied here both experimentally and theoretically. The experimental observations can be satisfactorily explained by simple Huckel molecular orbital calculations only when the cation is assumed to be tightly bound to one of the nitro groups.
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页码：150 / 154
页数：5
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