Abstract:Ab initio [MP2(fu)/6-31G**, MP2(fu)/6-311G**] and DFT [B3LYP/6-31G**, B3LYP/6-311G**] calculations predict stable planar structures of the nonclassical compounds BB6(CH)3 and BB6X2− (X = NH, O) containing a hexacoordinated central boron atom.
Document Type:
Article
Language: English
Citation:
T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “Planar hexacoordinated boron in organoboron compounds: an ab initio study”, Mendeleev Commun., 11:5 (2001), 169–170
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