화학공학소재연구정보센터
Inorganic Chemistry, Vol.40, No.8, 1730-1731, 2001
Missing hydrogens in B19H20-? Application of electron counting rule for edge-sharing macropolyhedral boranes
According to the n + m electron counting rule for condensed polyhedral boranes (Balakrishnarajan, M. M.; Jemmis, E. D. J. Am. Chem. Sec. 2000, 122, 4516.), an edge-shared bis-nido structure with a Big skeleton requires 23 electron pairs for skeletal bonding (19 + 2 + 2 for bis-nido arrangement). B19H20 reported recently (Dopke, J. A.; Powell, D. R.; Gaines, D. F. Inorg. Chem. 2000, 39, 463.) lacks two electrons. We propose that the observed structure has the molecular formula B19H22-The geometry of B19H203- based on the calculations at the B3LYP/6-31G* level is given here.