Using standard ab initio methods the optimal geometries and corresponding electronic structures of hexaaquacopper(II) complexes [Cu(H2O)6]q, q = + 1 and + 2, of Th, D2hand Ci symmetries are investigated at the SCF level using DZP basis sets. Contrary to [Cu(H2O)6]+, [Cu(H2O)6]2+ in the ground electr...

Using standard ab initio methods the optimal geometries and corresponding electronic structures of hexaaquacopper(II) complexes [Cu(H2O)6]q, q = + 1 and + 2, of Th, D2hand Ci symmetries are investigated at the SCF level using DZP basis sets. Contrary to [Cu(H2O)6]+, [Cu(H2O)6]2+ in the ground electr...

A novel hexaaquacopper (II) complex Cu(H2O)6(OPCy3)6(BF4)2 (OPCy3 = tricyclohexylphosphine oxygen) was synthesized and structure characterized. In the crystal, the six water molecules coordinated to the copper atom center are classed to two groups which are different from [4 + 2] or [2 + 2 + 2] of t...