Synthesis, crystal structure, and characterizations of a 3-D Cu(I) complex with 1,6-bi(benzotriazole)hexane

Solvothermal reaction of the flexible ligand 1,6-bi(benzotriazole) hexane (BBTH) with CuCl generated a 3-D hybrid solid, {[CuCl](2)(BBTH)}(n) (1), which was investigated by elemental analysis, FT-IR, X-ray powder diffraction (XRPD), X-ray single-crystal diffraction, TG/DTA, and photoluminescence measurements. Compound 1 crystallizes in the tetragonal system, space group I4(1)/a, a = b = 17.636(2) angstrom, c = 13.5345(15) angstrom, V = 4209.6(9) angstrom(3), Z = 8. The distorted tetrahedral geometry of Cu(I) is defined by two chlorides and two N donors from different BBTH ligands. Adjacent copper atoms are connected by mu(2)-Cl to give a 1-D zigzag inorganic chain, and further linked by BBTH ligands via mu(4)-bridging, forming the 3-D hybrid structure of 1. Cu(I) atoms and BBTH ligands can be regarded as two kinds of non-equivalent 4-connected nodes, which lead to an unusual topological network with Schlafli symbol of (3(2).8.9(2).10)(2)(3(2).8(2).9(2)). Compound 1 exhibits high thermal stability and shows strong red fluorescence emission at 538 nm in the solid state at ambient temperature.