Synthesis, Structure and Hirshfeld Surface Analysis of A New Decavanadate Compound: Na2[H4V10O28]·14H2O

Abstract

Objective: The synthesis and structural study of a new acid decavanadate compound with a monovalent inorganic cation. This compound makes a contribution to inorganic decavanadate family. Methods: The synthesis of the compound was carried out by evaporation at room temperature. Good quality crystals were chosen for single crystal x-ray diffraction using a polarizing microscope. Hirshfeld surface analysis, in particular dnorm surface and fingerprint plots, is used to decode intermolecular interactions in the structure of the studied decavanadate compound. Results: A new acid decavanadate compound, Na2[H4V10O28]·14H2O, was synthesized and characterized by single crystal X-ray diffraction. The decavanadate compound crystallizes in the triclinic system and the cell parameters are: a=11.282(5) Å, b=10.424(3) Å, c=8.502(1) Å, α=112.81(2)°, β=87.25(2)°, γ=111.49(5)°, V=852.4(5) Å3 and Z=2. The formula unit of Na2[H4V10O28]·14H2O compound is formed by an acidic decavanadate group [H4V10O28]2-, a Na2(H2O)102+ dimer and four molecules of water. The decavanadate group is formed by ten distorted VO6 octahedra interconnected by edge sharing. Decavanadate groups [H4V10O28]2-, the Na2(H2O)102+ dimers and the water molecules stack in layers parallel to the (010) plane. The cohesion of the structure is ensured by hydrogen bonds and van der Waals interactions. The study of the Hirshfeld surface shows that O…H/H…O and H…H interactions dominate the structure. Conclusion: A novel synthesized decavanadate compound decorated by inorganic cations is reported and studied by X-ray diffraction. The cohesion is assured by: O-H…O hydrogen bonds and van der Waals interactions. The Hirshfeld surface analysis confirms the presence of O…H/H…O and H…H contacts in the structure.