The fine-structure in the lowest triplet state of C60 and C70

被引：30

作者：

Visser, J ^{[1
]}

Groenen, EJJ ^{[1
]}

机构：

[1] Leiden Univ, Ctr Study Excited States Mol, Huygens Lab, Dept Mol Phys, NL-2300 RA Leiden, Netherlands

来源：

CHEMICAL PHYSICS LETTERS | 2002年 / 356卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(02)00289-0

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：

We report on a calculation of the spin-spin interaction in the triplet state of the fullerenes C-60 and C-70, starting from the experimentally determined spin-density distributions, The results provide insight into the zero-field-splitting parameter D of C-60 and of C-70, in particular with regard to their sign difference. (C) 2002 Elsevier Science B.V. All rights reserved.

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页码：43 / 48

页数：6

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