MATRIX-ELEMENTS OF SPIN OPERATORS IN EXCHANGE-COUPLED TETRAMERIC METAL-CLUSTERS

被引：6

作者：

BITTL, R

机构：

[1] Max-Volmer-Institut, Technische Universität Berlin, D-10623 Berlin

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 215卷 / 04期

关键词：

D O I：

10.1016/0009-2614(93)85715-Z

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：

An analytical evaluation of matrix elements of single spin operators in tetranuclear mixed-valence metal clusters is presented. The case of a ground state of the cluster with one strongly anti-ferromagnetic coupled spin pair and the second pair with undefined spin state is considered in detail. Such spin states have been discussed as a model for the water-oxidizing complex in photosystem II. Consequences of the structure of the ground state apparent in the hyperfine structure observed by EPR are discussed. The spin coupling algebra is presented and evaluated using the Mathematica software system.

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页码：279 / 284

页数：6

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