Absorption spectra of benzoic acid in the 5-15 THz range

J. Horvat, L. M. Lepodise, R. A. Lewis

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Absorption spectra of benzoic acid were measured between 5 and 15 THz. Hybrid DFT modeling does not reproduce the most intense absorption band at 8.61 THz. The same modeling on benzoic acid dimer reveals that the absorption bands at 8.61 and 12.7 THz occur because of inter-molecular inplane and out-of-plane vibrations of the dimer, respectively. The hydrogen bond length in dimer changes for these modes.

Original languageEnglish
Title of host publication2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2014
PublisherIEEE Computer Society
ISBN (Electronic)9781479938773
DOIs
Publication statusPublished - Jan 1 2014
Event39th International Conference on Infrared, Millimeter and Terahertz Waves, IRMMW-THz 2014 - Tucson, United States
Duration: Sep 14 2014Sep 19 2014

Other

Other39th International Conference on Infrared, Millimeter and Terahertz Waves, IRMMW-THz 2014
CountryUnited States
CityTucson
Period9/14/149/19/14

Fingerprint

Benzoic acid
Dimers
Absorption spectra
Bond length
Discrete Fourier transforms
Hydrogen bonds

All Science Journal Classification (ASJC) codes

  • Energy Engineering and Power Technology
  • Electrical and Electronic Engineering

Cite this

Horvat, J., Lepodise, L. M., & Lewis, R. A. (2014). Absorption spectra of benzoic acid in the 5-15 THz range. In 2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2014 [6956357] IEEE Computer Society. https://doi.org/10.1109/IRMMW-THz.2014.6956357
Horvat, J. ; Lepodise, L. M. ; Lewis, R. A. / Absorption spectra of benzoic acid in the 5-15 THz range. 2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2014. IEEE Computer Society, 2014.
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Horvat, J, Lepodise, LM & Lewis, RA 2014, Absorption spectra of benzoic acid in the 5-15 THz range. in 2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2014., 6956357, IEEE Computer Society, 39th International Conference on Infrared, Millimeter and Terahertz Waves, IRMMW-THz 2014, Tucson, United States, 9/14/14. https://doi.org/10.1109/IRMMW-THz.2014.6956357

Absorption spectra of benzoic acid in the 5-15 THz range. / Horvat, J.; Lepodise, L. M.; Lewis, R. A.

2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2014. IEEE Computer Society, 2014. 6956357.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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N2 - Absorption spectra of benzoic acid were measured between 5 and 15 THz. Hybrid DFT modeling does not reproduce the most intense absorption band at 8.61 THz. The same modeling on benzoic acid dimer reveals that the absorption bands at 8.61 and 12.7 THz occur because of inter-molecular inplane and out-of-plane vibrations of the dimer, respectively. The hydrogen bond length in dimer changes for these modes.

AB - Absorption spectra of benzoic acid were measured between 5 and 15 THz. Hybrid DFT modeling does not reproduce the most intense absorption band at 8.61 THz. The same modeling on benzoic acid dimer reveals that the absorption bands at 8.61 and 12.7 THz occur because of inter-molecular inplane and out-of-plane vibrations of the dimer, respectively. The hydrogen bond length in dimer changes for these modes.

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Horvat J, Lepodise LM, Lewis RA. Absorption spectra of benzoic acid in the 5-15 THz range. In 2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2014. IEEE Computer Society. 2014. 6956357 https://doi.org/10.1109/IRMMW-THz.2014.6956357