A comparison of the low-frequency vibrational spectra of liquids obtained through infrared and Raman spectroscopies

Autor:	Klaas Wynne, Gerard Giraud
Rok vydání:	2003
Předmět:	Kerr effect Infrared Chemistry Solvation Analytical chemistry General Physics and Astronomy Infrared spectroscopy Terahertz spectroscopy and technology symbols.namesake symbols Physics::Chemical Physics Physical and Theoretical Chemistry Solvent effects Spectroscopy Raman spectroscopy
Zdroj:	The Journal of Chemical Physics. 119:11753-11764
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.1623747
Popis:	Dynamic solvation of charge-distribution rearrangements is often described using a (harmonic) solvent coordinate. It is not a priori clear whether such a solvent coordinate has a real physical meaning. We have studied five polar organic liquids (benzonitrile, benzyl alcohol, N,N-dimethylformamide, ethylene glycol, and glycerol triacetate) with high-resolution high signal-to-noise ultrafast optical heterodyne-detected Raman-induced optical Kerr effect spectroscopy (OHD-RIKES). The data, converted to the frequency domain, were analyzed entirely with a multimode Brownian-oscillator model. The infrared spectra of the same five liquids were obtained with a combination of terahertz spectroscopy and Fourier-transform infrared spectroscopy. The Brownian-oscillator fits to the OHD-RIKES spectra could be converted successfully to IR spectra by using a simple theoretical model and by keeping all Brownian-oscillator parameters the same except for the amplitudes. This suggests that there is a small set of harmonic oscillators describing ultrafast solvent nuclear dynamics that can be used to understand solvation, IR absorption, and Raman scattering spectra.
Databáze:	OpenAIRE
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