Elaboration of new molecular materials using bottom-up and self-assembly approaches with multiple optical, thermodynamic and thermal properties : experimental and theoretical approach

Abstract

This study investigates two new ionic organic-inorganic hybrid materials—2,4-diamino-6- phenyl-1,3,5-triazinium perchlorate and 2,4,6-triamino-1,3,5-triazin-1,3-dium bisperchlorate monohydrate,—and ionic liquids (ILs). The hybrid materials exhibit good transparency in the visible range and UV absorbance, with thermal stabilities of 290 °C and 256 °C, respectively, stabilized by hydrogen bonding. The ILs demonstrate high thermal stability (>300 °C), a low glass transition temperature (-34 °C), anisotropic optical responses, and visible transparency, with overlapping UV absorption bands. Density Functional Theory (DFT) calculations reveal high hardness, stability, and low reactivity for the ILs, providing insights into molecular orbitals and electrostatic potentials. Modified carbon paste electrodes (CPEs) show high sensitivity, faster redox reactions, and efficient charge transfer, confirmed by electrochemical studies. These findings highlight the potential of hybrid materials and ILs for optoelectronic and electrocatalytic applications.