Stabilities of perhalogenated neutral closo-boranes

Abstract

EHMO calcns. were made for both closo-borane dianions BnHn2- and their perhalogenides BnXn2-, where n = 4-12, X = Cl, Br. The difference of bonding character between closo-borane dianions and their corresponding perhalogenides are discussed and the effect of perhalogenation on the electronic structure of BnHn2-. The stabilities of the neutral perhalogenated closo-boranes are explained. The order of their stabilities is obtained. The changes of bond lengths from BnHn2- to BnXn are also discussed.

Key words: STABILITY, STRUCTURE AND PROPERTY CORRELATION, HALOHYDROCARBON, ENERGY LEVELS, ELECTRONIC STRUCTURE, BORANES, MOLECULAR ORBITAL THEORY

CLC Number:

O611.662

Cite this article

QIN DUJIE;JIANG YUANSHENG. Stabilities of perhalogenated neutral closo-boranes[J]. Acta Chimica Sinica, 1987, 45(2): 113-119.

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