Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (7): 752.
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Du Qishi1, Peng Zhouren2
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Abstract: The bridge force term in partition the H-Fforce is defined, which means the force acting on a nucleus Acoming from the overlap of electronic charge density, between atoms Band C. The bridge forces in molecules B2H6 and C2H4 etc. are computed by means of quantum chemical ab initio method. The results show that the effect of bridge force in normal molecules (e.g.C,H4) can be neglected, but it may play a important role in multicentre bridge bond of electronic deficient molecules (e.g.B2H6). The equivalent point charge of the overlap force and its position in molecule B2H6 are calculated. According to these data a electronic charge distribution diagram of molecule B2H6 is drawn, which may clearly represent the character of chemical bond in a molecule.
Key words: Multicentre bridge bond, H-F force, Boranes
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Du Qishi, Peng Zhouren. A Study of H-F Force for Multicentre Bridge Bond in Electronic Deficient Molecule Boranes[J]. Chem. J. Chinese Universities, 1988, 9(7): 752.
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http://www.cjcu.jlu.edu.cn/EN/Y1988/V9/I7/752