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Issue 32, 2011
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Intermolecular vibrational mode of the benzoic acid dimer in solution observed by terahertz time-domain spectroscopy

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Abstract

The low-frequency modes of the benzoic acid (BA) dimer and its analogues in carbon tetrachloride (CCl4) have been investigated by terahertz time-domain spectroscopy. The solute spectrum is obtained by subtracting the solvent contribution from that of the solution. The difference spectrum of BA in CCl4 has a broad band with a peak at 68 cm−1. To assign the observed band, the spectrum is compared with spectra of other aromatic molecules, such as benzene and phenol in addition to p-methyl BA and deuterated BA species (BA-dOH and BA-d5) in CCl4. The band at 68 cm−1 is assigned to the cogwheel mode of the BA dimer. Density functional theory calculations also support this assignment. Finally, spectral lineshape analysis based on the multimode Brownian oscillator model is applied to the THz spectra for all the samples.

Graphical abstract: Intermolecular vibrational mode of the benzoic acid dimer in solution observed by terahertz time-domain spectroscopy

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Publication details

The article was received on 25 Mar 2011, accepted on 15 Jun 2011 and first published on 11 Jul 2011


Article type: Paper
DOI: 10.1039/C1CP20912D
Citation: Phys. Chem. Chem. Phys., 2011,13, 14742-14749
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    Intermolecular vibrational mode of the benzoic acid dimer in solution observed by terahertz time-domain spectroscopy

    S. Yamaguchi, K. Tominaga and S. Saito, Phys. Chem. Chem. Phys., 2011, 13, 14742
    DOI: 10.1039/C1CP20912D

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