Terahertz (6-15 THz) spectroscopy and numerical modelling of intermolecular vibrations in benzoic acid and its derivatives

Authors

Lucia Lepodise, University of WollongongFollow
Josip Horvat, University of WollongongFollow
R A. Lewis, University of WollongongFollow

RIS ID

100716

Publication Details

Lepodise, L. M., Horvat, J. & Lewis, R. A. (2015). Terahertz (6-15 THz) spectroscopy and numerical modelling of intermolecular vibrations in benzoic acid and its derivatives. Applied Spectroscopy, 69 (5), 590-596.

Abstract

Terahertz spectroscopy of benzoic acid (BA) and two of its derivatives, 2-hydroxybenzoic acid (2OH-BA) and 3-hydroxybenzoic acid (3OH-BA), has been investigated in the spectral region 200 to 500 cm-1 (6.06 to 15.15 THz). The spectra show distinct absorption features. There is agreement between some of the absorption lines observed for these compounds, despite a shift in energy, which is attributed to the differences in the molecular structures. Numerical modelling gave corresponding absorption lines, and this helped in the assignment. Temperature dependence studies revealed that most of the absorption lines are composite lines in this frequency region.