A diamond metal-organic framework with in situ generated 1H-tetrazolate-5-butyric acid ligand: Crystal structure, photoluminescence and high thermal stability

Hydrothermal reaction of diethyl 2-(2-cyanoethyl) malonate, ZnCl2, NaN3 and NaOH yielded a new 1H-tetrazolate-5-butyrate coordination polymer, [Zn(tzb)](n), (1) (H(2)tzb=1H-tetrazolate-5-butyric acid), which presents a 3-D noninterpenetrating diamond network. The in situ generated tzb(2-) ligand adopts a mu(4)-bridging mode with carboxylate group in a syn-anti fashion and tetrazolate group in a 1,4-N manner. Polymer 1 exhibits a weak second-order nonlinear optical coefficient about 0.5 times that of potassium dihydrogen phosphate (KDP), and also displays strong blue photoluminescence at room temperature and a high thermal stability up to 400 degrees C. (C) 2010 Elsevier B.V. All rights reserved.