AN ABINITIO IGLO NMR-STUDY OF CLOSO-C2B6H8, CLOSO-CB7H8-, CLOSO-B8H8(2-), AND C3B5H7

被引：36

作者：

BAUSCH, JW

PRAKASH, GKS

WILLIAMS, RE

机构：

[1] UNIV SO CALIF,DONALD P & KATHERINE B LOKER HYDROCARBON RES INST,LOS ANGELES,CA 90089

[2] UNIV SO CALIF,DEPT CHEM,LOS ANGELES,CA 90089

来源：

INORGANIC CHEMISTRY | 1992年 / 31卷 / 18期

关键词：

D O I：

10.1021/ic00044a018

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The closo electron count compounds C2B6H8, B8H82-, CB7H8-, and C3B5H7 have been studied using the combined ab initio/IGLO/NMR method. C2B6H8 and the 'high-temperature" isomer of B8H82- have been reconfirmed as having the same bisdisphenoidal structures in the fluid phase as in the crystalline phase. The structure of the second "low-temperature" isomer of B8H82- in solution remains unresolved. The carborane CB7H8- is also shown to have a fluxional closo geometry in solution. The carborane C3B5H7 probably does not have the closo geometry in solution as has been suggested.

引用

页码：3763 / 3768

页数：6

共 31 条

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