(M4H3X)2B2O2: hydrometal complexes (M = Ni, Mg) containing double tetracoordinate planar nonmetal centers (X = C, N).
Geometrical optimizations and electronic structural analyses of the -O(2)B(2)- bridged hydrometal complexes (M(4)H(3)C)(2)B(2)O(2) and (M(4)H(3)N)(2)B(2)O(2)(2+) (M = Ni, Mg) containing double tetracoordinate planar nonmetals (TPN) have been 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.
Li
Si-Dian
SD
Department of Chemistry and Institute of Materials Science, Xinzhou Teachers University, Xinzhou 034000, Shanxi, Peoples' Republic of China.
Ren
Guang-Ming
GM
Miao
Chang-Qing
CQ