A novel 2D vanadium(V)-isonicotinohydrazide coordination polymer, C15H16AgN4O8V: Synthesis, structure, catalytic activity and DFT calculation

A novel two-dimensional 3d–4d transition metal-based coordination polymer [VO(OCH3)(OHCH3)(L)Ag(NO3)]∞ (1) has been synthesized and characterized by single crystal X-ray diffraction and fluorescence spectroscopy (H2L = (E)-N′-(2-hydroxybenzylidene)isonicotinohydrazide). The coordination sphere of each V center is octahedral and chelates to a tridentate ligand L, while the tetrahedral conformation of Ag center consists of two O and two N atoms. Infinite zigzag chains of Ag-tetrahedrals are formed. The hydrazinide L2− ligands of octahedral-V centers link adjacent chains to form an undulated heterometal based 2D layer. DFT calculations on 1 reproduced the geometric parameters and the electronic absorptions were predicted. The coordination polymer 1 showed very selective heterogeneous catalytic activity with 77–89% conversion in oxidation of alkenes, cyclooctane and benzyl alcohol by H2O2.

A novel two-dimensional 3d–4d transition metal-based coordination polymer has been synthesized and characterized. Electronic absorptions were predicted by DFT calculations. The coordination polymer 1 showed very selective heterogeneous catalytic activity.Figure optionsDownload as PowerPoint slideHighlights
► A novel two-dimensional 3d–4d transition metal-based (V-Ag) coordination polymer (1) has been synthesized and characterized.
► This work has revealed pentadentate chelating behaviors of the hydrazone Schiff base ligand towards oxovanadium and silver.
► The hydrazinide L2− ligands of octahedral-V centers link adjacent chains to form an undulated heterometal based 2D layer.
► Electronic spectrum of 1 was predicted by DFT calculations.
► The compound 1 showed very selective heterogeneous catalytic activity in oxidation of alkenes and benzyl alcohol by H2O2.