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In this paper, we carry out a series of extended Huckel molecular-orbital calculations onthe close-boranes B_nH_n~(2-) and their perhalogenated derivatives B_nX_n~(2-), where n=4--12, X=Cl, Br. By dint of the results of calculations, we discuss the stabilities of neutral polyhedral boronsubhalides, and by use of comparing the gaps between HOMO and LUMO, we give out the order of theirstabilities. At the sam time, we also discuss the changing trend of B--B bord lergths frcm B_nH_n~(2-)to B_nX_n and estimate the changing trend of B--B bond lengths for some unkncwn compounds bymeans of the overlap populations.
In this paper, we carry out a series of extended Huckel molecular-orbital calculations on the close-boranes B_nH_n ~ (2-) and their perhalogenated derivatives B_nX_n ~ (2-), where n = 4-12, X = Cl, Br . By dint of the results of calculations, we discuss the stabilities of neutral polyhedral boronsubhalides, and by use of comparing the gaps between HOMO and LUMO, we give out the order of theirstabilities. At the sam time, we also discuss the changing trend of B - B bord lergths frcm B_nH_n ~ (2-) to B_nX_n and estimate the changing trend of B - B bond lengths for some unkncwn compounds bymeans of the overlap populations.