Hydrothermal synthesis, crystal structures and photoluminescence of a 2D cadmium(II) coordination polymer based on in situ synthesized tetrazole derivative ligand

Hydrothermal reaction of methyl 4-(cyanomethoxy)benzoate, Cd(NO3)(2)center dot 4H(2)O and NaN3 yielded a new 2D Cd(II) coordination polymer,{[Cd-3(N-3)(2)(mtzb)(4)(H2O)(2)]center dot(H2O)(25)}(n) 1 (Hmtzb = methyl 4-(1H-tetrazol-5-ylmethoxy) benzoate), which was characterized by single-crystal X-ray diffraction. The in situ [2 + 3] cycloaddition reaction of nitrile and azide in presence of Cd(II) salt afforded a new tetrazolate-based mtzb(-) ligand. In polymer 1. The cross-linkage of the mtzb(-) ligands and Cd(II) atoms forms a 2D layer network, and the mtzb(-) ligand displays two distinct mu(3)-bridging coordination modes, mu(3)-kappa-N1:kappa N2:kappa N3 and mu(3)-kappa N1:kappa N2:kappa N4. Photoluminescent analyses revealed that 1 exhibits a strong blue emission with a fluorescent lifetime of 3.22 ns. The relevant density of states (DOS) calculation results showed that the photoluminescence mainly originates from ligand-centered charge transition. (c) 2012 Elsevier B.V. All rights reserved.