Physico-chemical characterization of a New supramolecular Hybrid 2,6- diaminopurinium Chloride hexacholorobismuthates(III) bihydrate

Abstract The new hybrid bismuth(III)-based material (C 5 H 8 N 6 ) 3 [BiCl 6 ].4Cl.2H 2 O has been synthesized and crystallized at room temperature by slow evaporation in the centrosymectric triclinic space group \(\mathbf{P}\stackrel{-}{1}\) with the crystallographical parameters: a = 11.5777 (3) Å, b = 12.0847 (4) Å, c = 15.2286 (4) Å, β = 108.571 (6)° Z = 2 and V = 1132.6 (2) Å 3 . The crystal structure is consists of discrete Bi 2 Cl 11 dioctahedron anions, four chloride surrounded by three 2,6 diaminopurinium cations and two molecule water. The atomic arrangement can be described as an alternation of organic and inorganic parts which are linked via N-H…Cl and O-H…Cl hydrogen bonds forming a three dimensional network. The infrared and Raman spectra were recorded in the 4000–500 cm − 1 and 3000–0 cm − 1 frequency region ,respectively. Furthermore, the thermal behavior studied by thermogravimetric analyses shows a good stability up to 150°C. The results of Hirshfeld analysis associated with 2D fingerplints plots revealed that in all potential molecular contacts, the H…Cl/Cl…H constitutes the most important interaction in the crystal (49%). Finally, photoluminescence measurement indicates that the synthesized material manifests luminescence property and can be practical for use in the optoelectronics domain.