摘要

A new metal-organic framework, [Zn-3(mu(3)-OH)(tzba)(2)(bpy)(H2O)]OH center dot DMF (1), was solvothermally synthesized by employing tetrazolate-carboxylate 4-(1H-tetrazol-5-yl) benzoic acid (H(2)tzba) linker and 2,2'bipyridine (bpy) chelating coligand. 1 contains novel Zn-6(mu(3)-OH)(2)(mu(2)-H2O)(2)(COO)(4)(N4C)(2) hexanuclear clusters and reveals a three-dimensional (3D) microporous supramolecular framework based on the stacked 2D layers. The highly polar pores cause not only strong affinity towards CO2 molecules but also a significant selective adsorption of CO2 over CH4. Meanwhile, the multiple binding sites for CO2 in the framework were determined by Grand Canonical Monte Carlo (GCMC) simulations. 1 also shows strong blue luminescence from ligand-to-metal charge transfer (LMCT).