A new layer-stacked porous framework showing sorption selectivity for CO2 and luminescence

A new metal-organic framework, [Zn(μ-OH)(tzba)(bpy)(HO)]OH·DMF (1), was solvothermally synthesized by employing tetrazolate-carboxylate 4-(1H-tetrazol-5-yl) benzoic acid (Htzba) linker and 2,2′-bipyridine (bpy) chelating coligand. 1 contains novel Zn(μ-OH)(μ-HO)(COO)(NC) 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 CO molecules but also a significant selective adsorption of CO over CH. Meanwhile, the multiple binding sites for CO 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)