Terahertz (6–15 THz) Spectroscopy and Numerical Modeling of Intermolecular Vibrations in Benzoic Acid and Its Derivatives. Issue 5 (May 2015)

• Record Type: Journal Article
• Authors: Lepodise, Lucia M.; Horvat, Josip; Lewis, R.A.
• Is Part Of: Applied spectroscopy. Volume 69:Issue 5(2015)
• Page Start: 590
• Page End: 596
• Publication Date: 2015-05
• Subjects: Fourier transform infrared spectroscopy -- FT-IR spectroscopy -- Terahertz -- THz -- Vibrations -- Intermolecular -- Radiation; Spectrum analysis -- Periodicals; 543.505
• DOI: 10.1366/14-07658
• Languages: English
• ISSNs: 0003-7028

Abstract

Terahertz spectroscopy of benzoic acid (BA) and two of its derivatives, 2-hydroxybenzoic acid (2OH-BA) and 3-hydroxyben-zoic 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 modeling 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.