Charge transfer interactions and nonlinear optical properties of push-pull chromophore benzaldehyde phenylhydrazone: A vibrational approach

FT-IR and Raman spectra were used to investigate the nonlinear optic molecule benzaldehyde phenylhydrazone. The vibrational analysis explicate the NLO activity and charge transfer interactions of the molecule supported by using the scaled quantum mechanical (SQM) force field technique based on density functional theory (DFT) calculations. The SHG efficiency of the microcrystalline powders of the molecule was examined.