GRAPHICAL ESTIMATIVE OF DIAMAGNETIC ANISOTROPY IN SOME CONJUGATED SYSTEMS

被引:8
作者
ESQUIVEL, DMS [1 ]
DEGIAMBIAGI, MS [1 ]
GIAMBIAGI, M [1 ]
机构
[1] UNIV FED FLUMINENSE,INST FIS,NITEROI,RJ,BRAZIL
关键词
D O I
10.1016/0009-2614(79)87293-0
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
A graphical method for obtaining the diamagnetic anisotropy of certain conjugated systems relative to that of benzene is proposed. The conjugation volume required is determined through the π charge density contour line of maximum conjugation. The agreement with experimental data or other theoretical treatments is satisfactory. In all cases considered, not more than one third and not less one fifth of each electron takes part in the conjugation. © 1979.
引用
收藏
页码:131 / 138
页数:8
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