Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1249700 | Vibrational Spectroscopy | 2010 | 10 Pages |
Abstract
Vibrational overtone spectra of ethene and propene dissolved in liquid krypton at 120Â K have been recorded between 5000 and 16500Â cmâ1. Spectral regions for the first four overtones were measured using a Fourier transform spectrophotometer. The fifth overtone (ÎÏ
 = 6) spectra in liquid Kr were recorded with a double beam (pump-probe) thermal lens technique. Local-mode parameters were calculated for C-H oscillators in solution and compared with gas phase local mode parameters. The bandwidth (ÎÏ1/2) of the absorption bands of ethene correlate with the magnitude of the collision frequency with the solvent atoms. For propene, the shapes of the absorption bands in gas phase and in liquid krypton are similar. Density functional theory calculations of the structural parameters and C-H vibrational frequencies of propene in gas phase and in solution are reported. Frequency shifts (ÎÏ) with respect to gas phase results are attributed to changes in harmonic frequency and anharmonicity of the particular C-H bond of the sample dissolved in liquid krypton.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Alfredo Lopez-Calvo, Helena Diez-y-Riega, Carlos E. Manzanares,