Crystal structure, Hirshfeld surface analysis, thermal behavior and IR investigation of a new organic selenate-selenide [C3H12N2]2(SeO4)(SeO3)•4H2O

The new hybrid compound called propane-1,3-diammonium selenate-selenide tetrahydrate (PDASe) was obtained by slow evaporation and characterized by X-ray diffraction, NMR and IR spectroscopies, TGA and DSC analysis and UV-visible transmittance. This compound contains both Se-IV in the form of selenide (SeO32-) trigonal pyramids and Se-VI as selenate (SeO42-) tetrahedra. The structure is built up from tunnels containing all the components of the structure and oriented along b axis. The organic and inorganic groups are linked together by two types of hydrogen bonds, O-H center dot center dot center dot O and N-H center dot center dot center dot O. Crystal structure and Hirshfeld surfaces analysis revealed that the compound were mainly supported by N-H center dot center dot center dot O and O-H center dot center dot center dot O intermolecular interactions and the uncoordinated water molecules play a key role in the construction of the 3D stacking motif. The dehydration and the decomposition of the title compound are confirmed by the thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The analysis by the UV visible spectroscopy confirmed the transparency of our compound in the visible region. (C) 2017 King Saud University. Production and hosting by Elsevier B.V. This is an open access article under the CC BY-NC-ND license.