Structural, physico-chemical properties of a hybrid material based on Anderson-type polyoxomolybdates

A new organic-inorganic hybrid compound based on a rare beta-isomer of Anderson polyoxomolybdates cluster with mixed cations, ammonium and hexamethylenetetramine has been synthesized by the slow-evaporation method. The hybrid material was characterized by single crystal X-ray diffraction, infrared spectroscopy, UV-Visible spectroscopy and thermogravimetric analysis. Hirshfeld surface analysis helps to investigate all the intermolecular interactions within the structure. (C6H14N4)(2)(NH4)(2)[beta-HSbMo6O24]center dot 8H(2)O crystallizes in an orthorhombic system and Pnma space group, with a = 23.6649(6) angstrom, b = 19.5394( 5) angstrom, c = 8.6683(2) angstrom, a = beta =gamma= 90 (degrees) and Z = 4. The structure is deposited in the Cambridge Crystallographic Data Center (CCDC) (deposition number CCDC 2184536). The new hybrid organic-inorganic polyoxometalates based material three-dimensional structure is shaped by the connection of the structure components with N-H center dot center dot center dot N, N-H center dot center dot center dot O, N-H center dot center dot center dot O-w, O-w-H center dot center dot center dot O hydrogen bonds types and their interactions. The infrared spectrum fully confirms the X-ray crystal structure. The UV-Vis spectrum shows two absorption bands with an optical energy gap of 4 eV, consequently the hybrid material is classified as an insulator. Thermogravimetric and differential thermal analysis was used to study thermal stability of the hybrid organic-inorganic compounds. Hirshfeld surface fingerprint graphics showed several types of intermolecular interactions, where hydrogen bonds are the majority.

Automated summary

A new organic-inorganic hybrid compound based on a rare beta-isomer of Anderson polyoxomolybdates cluster with mixed cations has been synthesized. The material was characterized by various techniques and the intermolecular interactions were investigated using Hirshfeld surface analysis.