Hydrothermal Synthesis, Structural and Optical Elucidation with Hirshfeld Surface Analysis of a Bioactive Hybrid Compound Based Mixed-Metal Cluster Anion [V2W4O19]4−

Abstract : A mixed-metal Lindqvist-type heteropolyanion of organic cation; (C8H14N2)2[V2W4O19]⋅2H2O (m-XDAV2W4) has been synthesized hydrothermally and characterized by means ICP and elemental analysis, X-ray diffraction, IR, UV–Vis, luminescence and biological analyses. The X-ray structural analysis supported by a detailed Hirshfeld surface analysis and fingerprint plots has been elucidated the different inter-contacts in the crystal structure mainly associated with O…H/H…O close contacts between [V2W4O19]4− (V2W4) clusters, water molecules and m-xylylenediammonium entities so stabilizing the 3D-supramolecular structure. The optical survey reveals an important HOMO–LUMO band gap indicating stability and blue luminescent behavior of reported material. Moreover, the biological trials indicated that this compound displays promising antibacterial and antifungal activities. © 2016, Springer Science+Business Media New York.