PROCEEDINGS OF THE SYMPOSIUM ON RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, VOL 3
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1996年
/
96卷
/
10期
关键词:
D O I:
暂无
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:
The anisotropic components of the g factor of C-60(-) were determined with accuracy from the analysis of angular dependent ESR spectra of single crystal C-60(-) salts. The evaluation of the g factor was performed according to the classification of symmetry of the C-60(-) geometry. It was found out from the evaluation that the molecular structure of C-60(-) should be distorted to the lower symmetry of C-2h or C-i. This conclusion was well explained theoretically by the ab initio MO calculations.