BONDING IN TI8C12 AND THE SUBSTITUTIONAL JAHN-TELLER EFFECT

被引：48

作者：

CEULEMANS, A ^{[1
]}

FOWLER, PW ^{[1
]}

机构：

[1] UNIV EXETER,DEPT CHEM,EXETER EX4 4RJ,DEVON,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1992年 / 88卷 / 18期

关键词：

D O I：

10.1039/ft9928802797

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：

Qualitative reasoning based on the Huckel model and symmetry aspects of Jahn-Teller instabilities leads to two plausible structures for the recently reported Ti8C12 cluster, with full pairing of electron spins occurring not for the tetrahedral (T(h)) cage but for a trigonal (D3d) alternative.

引用

页码：2797 / 2798

页数：2