Intermolecular vibrational mode of the benzoic acid dimer in solution observed by terahertz time-domain spectroscopy.
Phys Chem Chem Phys
; 13(32): 14742-9, 2011 Aug 28.
Article
em En
| MEDLINE
| ID: mdl-21748175
ABSTRACT
The low-frequency modes of the benzoic acid (BA) dimer and its analogues in carbon tetrachloride (CCl(4)) 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 CCl(4) 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-d(OH) and BA-d(5)) in CCl(4). 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.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Tetracloreto de Carbono
/
Ácido Benzoico
Idioma:
En
Revista:
Phys Chem Chem Phys
Ano de publicação:
2011
Tipo de documento:
Article