Experimental and theoretical study of the vibrational spectra on 3,5-dimethoxybenzyl alcohol
Department of Physics, Luoyang Normal College, Luoyang, 471022, P.R. China
Revised: 12 May 2010
Accepted: 18 May 2010
Published online: 7 July 2010
The Raman and FT-IR spectra of 3,5-dimethoxybenzyl alcohol (L1OH) were measured experimentally, and density functional theory (DFT) method were used to calculate the equilibrium geometry and vibration frequencies of L1OH for the first time. The results showed that the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis. Thereafter a detail assignment of the vibrational frequencies of L1OH has been obtained.
© EDP Sciences, 2010