(M4H3X2)(sub 2)B(sub 2)O(sub 2): Hydrometal complexes (M = Ni, Mg) containing double tetracoordinate planar nonmetal centers (X = C, N)

Geometrical optimizations and electronic structural analyses of the -O(sub 2)B(sub 2)- bridged hydrometal complexes (M4H3C)(sub 2)B(sub 2)O(sub 2) and (M4H3N)(sub 2)B(sub 2)O(sub 2)(super 2+) (M=Ni, Mg) containing double tetracoordinate planar nonmetals (TPN) are performed using the density functional theory at the B3LYP/6-311+G(d,p) level. Theoretical evidence of the possibility of double TPN centers coexisting in one planar molecule is presented.