Theoretical and experimental studies on structural and optical properties of two quinoxaline 1, 4dioxide derivatives

The thermal vacuum evaporation technique is utilized to prepare two novel, uniform and compact thin films of quinoxaline 1, 4dioxide derivatives: 6-Chloro-3-(hydrazinecarbonyl)-2-methylquinoxaline 1, 4-dioxide (CHMQ) and 6-Chloro-2-methyl-3-(2-(4-nitrbenzylidene) hydrazine-1-carbonyl) quinoxaline 1, 4-dioxide (CMNQ). The structures of thin films are characterized using Fourier transform infrared spectrophotometry, X-ray diffraction and atomic force microscopy techniques. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths, and bond angles) and the theoretical energy gap (HOMO–LUMO optical gap) values of the CHMQ and CMNQ compounds are also calculated. Crystalline structures, lattice parameters, Miller indices, diffraction angles and interplaner spacings for both compounds, in their powder form, are computed. Crystallite size, dislocation density and microstrain …