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

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 166卷 / 5-6期

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.

引用

页码：605 / 608

页数：4

共 20 条

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