A Simulation Study of the Far-Infrared Absorption Spectra of HCl Diluted in Liquid Ar. (24th September 2013)

• Record Type: Journal Article
• Authors: Padilla, A.; Pérez, J.
• Other Names: Schmatz Stefan Academic Editor.
• Is Part Of: International journal of spectroscopy. Volume 2013(2013)
• Publication Date: 2013-09-24
• Subjects: Spectrum analysis -- Periodicals; Spectrum Analysis; Spectrum analysis; Periodicals; Periodicals; 543.5
• DOI: 10.1155/2013/485432
• Languages: English
• ISSNs: 1687-9449

Abstract

Abstract : The far-infrared absorption coefficient of HCl diluted in liquid Ar has been calculated by using a mixed classical-quantum stochastic simulation approach. The simulated spectra have been compared with the available experimental data at different thermodynamic conditions without using ad hoc fitting parameters. Despite the fact that some discrepancies can be observed in the high frequency side of the far-infrared bands, a reasonable agreement has been found between the theoretical and the experimental spectral profiles. Both, classical and quantum simulated line shapes were comparatively analyzed, determining the time scales involved in the rotational spectra.