A new monohydrogendecavanadate (V)-dihydrogendecavanadate (V) with dibutylammonium cations [C8NH20]9[H2V10O28][HV10O28].2.13H2O: Synthesis, crystal structure, vibrational and optical properties

• [C8NH20]9[H2V10O28][HV10O28].2.13H2O crystallizes in the triclinic system.
• The cohesion is provided by hydrogen bonds and by Vander Waals interactions.
• The vibrational properties were studied by infrared and Raman spectroscopies.
• Optical properties of the crystal were analyzed using UV-Visible.

A new decavanadate, [C8NH20]9[H2V10O28][HV10O28].2.13H2O, was synthesized by slow evaporation from aqueous solution and characterized by IR, Raman and UV-Vis spectroscopies. The crystal structure was solved by single-crystal X-ray diffraction. [C8NH20]9[H2V10O28][HV10O28].2.13H2O consists of dihydrogendecavanadate [H2V10O28]4-, monohydrogendecavanadate [HV10O28]5-, dibutylammonium cations and water molecules. The decavanadate units are assembled in tetramers arrays by interanionic hydrogen bonds O–H···O and cation-anion N–H···O interactions. The dibutylammonium [C8NH20]+ cations and water molecules connect the tetramers into a three-dimensional network. The presence of the two types of units, [HnV10O28](6−n)- with n = 1 and n = 2, in one compound was not yet observed and is herein reported for the first time. The IR and Raman spectra exhibit characteristic bands of all groups present in the structure. The optical analysis shows that this compound is a semiconductor material with an optical band gap of 2.59 eV.

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