Studies on the nature of chemical bonds in boranes Ⅱ. The four- center bond in B3H7 and the three separated hydrogen bridged three- center bond in B3H9

Acta Chimica Sinica ›› 1996, Vol. 54 ›› Issue (7): 638-643. Previous Articles Next Articles

Original Articles

硼烷分子中化学键性质的研究 Ⅱ. B3H7中四中心键及B3H9中三个隔离的氢桥三中心键

武海顺;潘道皑;周伟良;刘元隆

山西师范大学化学系;华东师范大学化学系

发布日期:1996-07-15

Studies on the nature of chemical bonds in boranes Ⅱ. The four- center bond in B3H7 and the three separated hydrogen bridged three- center bond in B3H9

WU HAISHUN;PAN DAOAI;ZHOU WEILIANG;LIU YUANLONG

Published:1996-07-15

Abstract

As a result of 'ab initio' study, using Dunning's basis set, it is shown that, in B3H7(1103), the two three-center bonds have been fused into a four-center bond, owing to the σ-conjugation effect. The properties in bond strength of this four-center bond are: No σ-conjugation effect can take place between the three separated three-centerbonds in B3H9, whose properties are: hartree/bohr.

Key words: CHEMICAL BONDS, AB INITIO CALCULATION, BORANE, CONJUGATIVE EFFECT

CLC Number:

O641

Cite this article

WU HAISHUN;PAN DAOAI;ZHOU WEILIANG;LIU YUANLONG. Studies on the nature of chemical bonds in boranes Ⅱ. The four- center bond in B3H7 and the three separated hydrogen bridged three- center bond in B3H9[J]. Acta Chimica Sinica, 1996, 54(7): 638-643.

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硼烷分子中化学键性质的研究 Ⅱ. B3H7中四中心键及B3H9中三个隔离的氢桥三中心键

Studies on the nature of chemical bonds in boranes Ⅱ. The four- center bond in B3H7 and the three separated hydrogen bridged three- center bond in B3H9

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