Intermolecular interaction and magnetic coupling mechanism of a 2-D mixed-valence Cu~(II)Cu~I coordination polymer containing μ_(1,1,3)-SCN bridge

摘要

A 2-D Cu~ICu~(II) mixed oxidation state coordination polymer, [Cu~(II)Cu~I(μ_(1,3)-SCN)_2(μ_(1,1,3)-SCN)(Phe-nE)]_n (PhenE: 2-ethoxy-1,10-phenanthroline), has been prepared and its crystal structure determined by X-ray crystallography. In the polymer, Cu~(II) is a distorted trigonal bipyramidal geometry and Cu~I 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.