Structure, Physic-chemical Characterizations and Hirshfeld Surface Analysis of [C7ON2H18]3V10O28·2H2O Compound

Abstract

Objective: Structural study and physico-chemical characterization of a new decavanadate compound. Methods:The compound was synthesized using distilled water as solvent. By stirring and magnetic heating and by evaporation at room temperature, a good quality crystal was chosen for single crystal X-ray diffraction.Results: A new decavanadate compound, tri [2-[2-(dimethylamino) ethyl-methylaminium]ethanol] decavanadate dehydrate, was synthesized by slow evaporation, the formula unit is composed by one decavanadate cluster, three [C 7 ON 2 H 18 ] 2+ organic cations and two water molecules. Different characterization techniques are used such as: crystal X-ray diffraction, Scanning electron microscopy with energy dispersive X-Ray analysis and thermal analysis. The X-ray structure determination revealed that the compound crystallizes in the triclinic system, space group P-1 with the cell parameters: a=10.815 (9) Å, α=112.97 (3)°, b=11.624 (4) Å, β=111.73 (7)°, c=11.840 (5) Å, γ= 96.86 (6)° and V=1195.8 (6) Å3. The cohesion of the structure is ensured by hydrogen bonds of the type O-H...O, N-H...O and van der Waals interactions. The study of the Hirshfeld surface of the decavanadate compound shows us that it is dominated by O…H/H…O (56.7%) and H…H (30.2%) type contacts. Conclusion:A new decavanadate compound was synthesized and characterized by different physicochemical techniques. The detailed structural study shows that the different groupings of the structure pile up in layers parallel to the planes (010). The cohesion of the structure is ensured by hydrogen bonds and van der Waals interactions.