Synthesis, Structure, Redox Properties and Reactivity of a Copper(II) Complex with a Bidentate (N,S) Chelate Ligand

Abstract

The complex [CuL2(OClO3)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 N3- and SCN- ions give [CuL2(N3)2] and [CuL2(SCN)2]. The copper atom in [CuL2(OClO3)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.