Structural, optoelectronics and DFT studies of Ethyl 5–methyl–7–phenyl–1,2,3,7,8,8a-hexahydroimidazo[1,2-a] pyridine-6-carboxylate

The target compound, Ethyl 5-methyl-7-phenyl-1,2,3,7,8,8a-hexa hydro Imidazo [1,2-a]pyridine-6-carboxylate, was synthesized and systematically investigated to evaluate its suitability for layered OLED and sensing applications. Structural characterization was performed using Powder X-ray Diffraction (PXRD), Fourier Transform Infrared (FTIR) spectroscopy, and Scanning Electron Microscopy (SEM). Density Functional Theory (DFT) simulations were carried out to understand the molecular-level interactions and self-assembly behavior relevant to sensing performance. UV–Visible spectroscopy was employed to study the optical properties and band gap of the compound, while electrical conductivity measurements were conducted to analyze its charge transport characteristics.