Synthesis, crystal structure, Hirshfeld surface analysis, vibrational and photoluminescence properties of a supramolecular hybrid of 2-amino, 3-nitropyridinium perchlorate (C5H6N3O2)ClO4

Abstract

The synthesis of a supramolecular hybrid perchlorate using the organic molecule 2-amino,3-nitropyridine, resulted in the new organic-inorganic compound (C5H6N3O2)ClO4. The crystal was prepared by slow evaporation at room temperature. Single-crystal X-ray study showed that the new material crystallize belong to the monoclinic symmetry in the space group P21/n according to the following parameters; a = 5.907 Ǻ, b = 18.472 Ǻ, c = 8.451 Ǻ, β =102.11° and Z = 4. The stability of the crystalline structure is ensured by hydrogen bonding contacts (N-H…O) only between (ClO4)− anions of the mineral part and the organic cations (C5H5N3O2)+. The infrared spectra (FT-IR) were recorded in the 4500–520 cm−1, confirming the existence of vibrational modes that correspond to the organic molecule and mineral perchlorate tetrahedron. The Hirshfeld surface analysis was used to investigate the various intermolecular interactions. The results of the analysis show that in all existing molecular contacts, the oxygen- hydrogen is the most important interaction in the crystal (54.2 %). Finally, the optical absorption spectrum reveals a broad band located at (240 nm), which is accredited to the exaction emission. Photoluminescence measurement indicates this material manifests blue luminescence in their solid state.