Synthesis, crystal structure and iodine capture of Zr-based metal-organic polyhedron

A new zirconium-based metal-organic polyhedron (Zr-MOP-1) was successfully synthesized from Bis(cyclopentadienyl)zirconium dichloride and 2,5-pyridinedicarboxylic acid under solvothermal condition. It was characterized by single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetric analysis and infrared spectroscopy. Four trinuclear zirconocene building blocks as well as six linear carboxylate ligands give rise to its tetrahedral configuration. Interestingly, Zr-MOP-1 possesses considerable reversible iodine sorption performance in organic phase featuring an optimal adsorption capacity of 283 mg g(-1). The related kinetics absorption and desorption process were fully explored in detail by multiple complementary experiments and the adsorbed iodine species (I- and I-3(-)) in Zr-MOP-1 had been further identified through crystallographic analyses. This work provides new possibilities for developing new and functional zirconium-based molecular cages materials.

Automated summary

Zr-MOP-1, a zirconium-based metal-organic polyhedron, exhibits tetrahedral configuration with four trinuclear zirconocene building blocks and six linear carboxylate ligands, showing considerable reversible iodine sorption performance in organic phase with an optimal adsorption capacity of 283 mg g(-1). This work sheds light on the potential for developing new and functional zirconium-based molecular cages materials.