摘要
The complex [CuL 2 (OClO 3 ) 2 ] [L=2-(benzylthio)aniline] has been synthesised and its crystal structure determined. It displays a one-electron reductive response at -0.38 V versus SCE and its reactions with N 3 -?and SCN-?ions give [CuL 2 (N 3 ) 2 ] and [CuL 2 (SCN) 2 ]. The copper atom in [CuL 2 (OClO 3 ) 2 ] assumes a tetragonally distorted, octahedral geometry with two semicoordinated perchlorate oxygens in the axial positions. Two perchlorate ions are also linked to the amino nitrogen of other molecules by intermolecular hydrogen bonding. A plausible description of redox orbitals is given on the basis of single point density functional theory calculations.