Matching Charge Towards Synthesis of Tetrazole Frameworks for Iodine Uptake

Abstract

Up to now, the experience that matching the total and local charge in advance will effect on the success of synthesis for metal–organic frameworks has been confirmed. In this work, we report two tetrazole-frameworks based on binuclear and trinuclear cluster Zn, respectively, namely [Zn2(btz)2(bdc)]·(solvents) (1) and [Zn3(atz)(bdc)3]·(cation)·(solvents) (2) (bdc = 1,4-benzenedicarboxylate acid, btz = 5-benzyl-1H-tetrazole, atz = 5-amino-1H-tetrazole). The result showed that pre-computing the charge can determine whether ionic template agent should present in the synthetic process, which could perfect the intentionality of design and synthesis of crystalline materials. Meanwhile compound 1 also exhibited the characteristic of reversible adsorption of iodine. Presented here is that pre-computing the total and local charge can determine whether ionic template agent should be added during the synthetic process, which could perfect the intentionality of design and synthesis of metal-organic frameworks.