Vibrational circular dichroism spectrum of 1-amino-2-propanol.

Vibrational circular dichroism (VCD) spectra of 1-amino-2-propanol, of neat sample and in dilute solution of CDCl3, were measured in 2000 to 800 cm(-1) region. Two VCD bands, which appear at 1272 and 1412 cm(-1) in dilute solution, were assigned, respectively, to the OH bending mode and the mode that is influenced by the OH bending of the most stable conformer. The assignments were confirmed according to the prediction by a high-level density function theory (DFT) calculation and the isotope shift of deuterated samples. The joint analysis of the spectra obtained by the VCD and ordinary infrared (IR) measurements seems to be a useful way of using vibrational spectroscopy to investigate the hydrogen bonding system in solution.