Numerical calculations of the Frequency Spectra of naphthalene and 1,4-dihydroxynaphthalene in the 0.5-to 6 terahertz region

Abstract

Semi-empirical calculations successfully predicted the terahertz (THz) absorption spectrum associated with intra- and intermolecular interactions in 1,4-dihydroxynaphthalene. Results are in excellent agreement with actual spectroscopy data in the 0.5-6 THz region using GaP THz source.