Structural, spectroscopic studies, thermal proprieties and Hirshfeld surface analysis of a novel tetra-piperidinium disodium decavanadate nonahydrate

Abstract

In this study, we focus on the synthesis of a new decavanadate, tetra-piperidinium disodium decavanadate nonahydrate, (C5H12N)2(C5H11N)2Na2V10O28·9H2O, obtained by slow evaporation method. The single crystal X-ray diffraction analysis indicates that the decavanadate compound crystallizes in the triclinic space group P-1. The structural study shows that the centrosymmetric decavanadate group [V10O28]6−, a disodium bridging unit based on the dimer Na2N2O4(H2O)4, four organic cations and five uncoordinated water molecules are linked through NH…O and OH…O hydrogen bonds, building up a 3D network. The phase purity of the title compound was analyzed by the Powder X-ray Diffraction (PXRD) pattern. The different functional groups were studied by Fourier Transform-Infrared (FT-IR) and Nuclear Magnetic Resonance (NMR) Spectroscopy. Additionally, the optical properties of the compound confirmed its semiconductor behavior. Thermal analyses such as Differential Scanning Calorimetry (DSC) and thermogravimetry (TG), were also carried out to determine the thermal stability of the compound. Moreover, the three-dimensional Hirshfeld surface projections (3D-HS) and their relative two-dimensional fingerprint plots (2D-FP) revealed that the structure is dominated by the intermolecular contacts O…H/H…O (43.6%) and H…H (34.1%).