Detection and identification of selected alcohols using terahertz time-domain spectroscopy

The optical property and spectroscopy of selected kinds of alcohols are studied based on the terahertz time-domain spectroscopy (THz-TDS) in the spectral range of 0.5-2.5 THz. The B3LYP method in conjunction with the 6-31G (d) basis set was used to optimize the geometric structure of samples and simulate the alcohols spectrum. No absorption peak occurs in THz wave band based on our simulation, suggesting that the present experimental absorption peaks resulted from the intermolecular interaction.