A HELICAL FACE-SHARING TETRAHEDRON CHAIN WITH IRRATIONAL TWIST, STELLA-QUADRANGULA, AND RELATED MATTERS

被引:37
作者
ZHENG, C
HOFFMANN, R
NELSON, DR
机构
[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853
[2] CORNELL UNIV,CTR MAT SCI,ITHACA,NY 14853
[3] HARVARD UNIV,LYMAN LAB PHYS,CAMBRIDGE,MA 02138
关键词
D O I
10.1021/ja00166a012
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Aggregates in which tetrahedra share faces are rare; this paper describes the electronic structure of some one-dimensional chains of this type. The archetype is gracefully winding triple helix with irrational twist, also described by R. Buckminster Fuller as a tetrahelix. We examine some realizations of this structure exemplified by stoichiometries such as BR, PtCO, CuI, and Tal. Optimum electron counts for approaching stability in this structural type are given. A related tetracapped tetrahedral building block, the Stella quadrangula or tetraederstern, is also the subject of calculations. Undeformed, it cannot propagate in space, but a relatively small distortion of all tetrahedra leads to a reasonably common stacking unit. © 1990, American Chemical Society. All rights reserved.
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页码:3784 / 3791
页数:8
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