Inelastic neutron scattering and vibrational spectra of 2-(N-methyl-α-iminoethyl)-phenol and 2-(N-methyliminoethyl)-phenol: Experimental and theoretical approach

The infrared, Raman, and inelastic neutron scattering (INS) spectra of two ortho-hydroxy aryl Schiff’s bases, 2-(N-methyliminoethyl)-phenol and 2-(N-methyl-α-iminoethyl)-phenol, were recorded. Ab initio molecular orbital calculations employing the DFT (B3LYP) method with the 6-31G∗∗ basis set for both compounds were done. Assignments of vibrational modes within the 3500–50 cm−1 spectral region were carried out. On the basis of the DFT calculations, four rotomers of 2-(N-methyl-α-iminoethyl)-phenol were analysed.