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

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• 作者：Imen Soussi ; Ahlem Maalaoui ; Olivier Pérez ; Mohamed Rzaigui…
• 关键词：Lindqvist ; X ; ray diffraction ; Hirshfeld surface analysis ; Band gap ; Luminescence
• 刊名：Journal of Cluster Science
• 出版年：2016
• 出版时间：November 2016
• 年：2016
• 卷：27
• 期：6
• 页码：1863-1876
• 全文大小：1,585 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Catalysis
  Inorganic Chemistry
  Physical Chemistry
  
• 出版者：Springer Netherlands
• ISSN：1572-8862
• 卷排序：27

文摘

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.