Synthesis, structural, spectroscopic and thermal studies of a decavanadate complex (C4NH10)4[H2V10O28].2H2O

•Synthesis of a new decavanadate complex: (C4NH10)4[H2V10O28].2H2O.•The cohesion of the structure is provided by hydrogen bonds and van der Waals interactions.•Decavanadate compound is classified as semiconductor.•Thermal analysis shows that our molecule is stable from ambient up to 100 °C. Decavana...

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Veröffentlicht in:Journal of molecular structure 2022-02, Vol.1250, p.131764, Article 131764
Hauptverfasser: Louati, Myriam, Neacsa, Daniela Maria, Ksiksi, Regaya, Autret-Lambert, Cécile, Zid, Mohamed Faouzi
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Sprache:eng
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Zusammenfassung:•Synthesis of a new decavanadate complex: (C4NH10)4[H2V10O28].2H2O.•The cohesion of the structure is provided by hydrogen bonds and van der Waals interactions.•Decavanadate compound is classified as semiconductor.•Thermal analysis shows that our molecule is stable from ambient up to 100 °C. Decavanadate complex associated with organic cation, tetra pyrrolidinium dihydrogen decavanadate dihydrate (C4NH10)4[H2V10O28].2H2O has been synthesized at room temperature by slow evaporation and characterized by single crystal X-ray diffraction, Infrared (IR), Raman and UV-Visible (UV–Vis) spectroscopies and Thermal analysis (TG-DTA). The decavanadate compound crystallizes in a triclinic system, P-1 space group with the cell parameters: a=11.833(2) Å, b=13.377(4) Å, c=14.126(2) Å, α=78.33(2)°, β=65.74(1)°, γ=84.75(2)°, Z=2 and volume V=1996.4(5) Å3. The formula unit of (C4NH10)4[H2V10O28].2H2O consists of one centrosymmetric dihydrogen decavanadate cluster [H2V10O28]4−, four organic cations (C4NH10)+ and two water molecules supported by O-H…O and N-H…O hydrogen bonds. The three-dimensional Hirshfeld surface (3D-HS) and the relative two-dimensional fingerprint plots (2D-FP) revealed that the structure is dominated by O…H/H…O (39.1%) and H…H (36.3%) interactions. The measurement of the absorbance spectrum shows that the material is a semiconductor. [Display omitted]
ISSN:0022-2860
1872-8014
0022-2860
DOI:10.1016/j.molstruc.2021.131764