INTERRING OVERLAP INTEGRALS IN DIMER COMPLEXES OF PHTHALOCYANINES AND PORPHYRINS

被引:100
作者
KONAMI, H [1 ]
HATANO, M [1 ]
TAJIRI, A [1 ]
机构
[1] HIROSAKI UNIV,COLL GEN EDUC,DEPT CHEM,HIROSAKI,AOMORI 036,JAPAN
关键词
D O I
10.1016/0009-2614(90)87158-N
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
Overlap integrals of phthalocanine (Pc) and porphyrin (Pp) dimers were calculated on changing the distance and rotation angle between two macrocycles. The HOMOs of Pc2- and Pp2- are both a1u and were found to give large overlap integrals. The origin of this strong overlap was clarified by a comparison between the four-orbital model and the perimeter model. © 1990.
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页码:605 / 608
页数:4
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