Intermolecular interaction and magnetic coupling mechanism of a 2-D mixed-valence CuIICuI coordination polymer containing μ 1,1,3-SCN bridge

Abstract

A 2-D CuICuII mixed oxidation state coordination polymer, [CuIICuI(μ 1,3-SCN)2(μ 1,1,3-SCN)(PhenE)] n (PhenE: 2-ethoxy-1,10-phenanthroline), has been prepared and its crystal structure determined by X-ray crystallography. In the polymer, CuII is a distorted trigonal bipyramidal geometry and CuI has distorted tetrahedral coordination. Thiocyanate bridges in two modes, μ 1,3-SCN and μ 1,1,3-SCN, resulting in a 2-D coordination sheet. The crystal structure analysis shows that there is a splipped π–π stacking in the sheet. The fitting for the variable-temperature magnetic susceptibility data gave the magnetic coupling constant 2J = −2.72 cm−1 and zJ′ = −2.07 cm−1. The magnetic interaction may be mainly ascribed to intermolecular π–π magnetic coupling.