Study of molecular spectroscopy of 2-hydroxy-3-methoxy-n-(2-chloro-benzyl)-benzaldehyde-imine molecule using density functional theory

Present article deals with IR and Raman spectroscopy of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine molecule. Density functional calculations were carried out at the B3LYP/6-311++G(D,P) level to study the equilibrium geometry and vibrational spectra of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine. The calculated vibrational spectra were analyzed based on the potential energy distribution of each vibrational mode, allowing us to obtain quantitative as well as qualitative interpretations of the IR and Raman spectra.