Terahertz (6-15 THz) Spectroscopy and Numerical Modeling of Intermolecular Vibrations in Benzoic Acid and Its Derivatives

Journal article

Authors / Editors

Lepodise, Lucia

Research Areas

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Publication Details

Author list: Lepodise LM, Horvat J, Lewis RA

Publisher: SAGE Publications (UK and US)

Place: THOUSAND OAKS

Publication year: 2015

Journal: Applied Spectroscopy (0003-7028)

Journal acronym: APPL SPECTROSC

Volume number: 69

Issue number: 5

Start page: 590

End page: 596

Number of pages: 7

ISSN: 0003-7028

eISSN: 1943-3530

Languages: English-Great Britain (EN-GB)

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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 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.

Keywords

Fourier transform infrared spectroscopy, FT-IR spectroscopy, Intermolecular, Radiation, Terahertz, THz, Vibrations

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