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oai:gredos.usal.es:10366/192232026-01-26T09:31:32Zcom_10366_4101com_10366_4055com_10366_3946com_10366_3823col_10366_4102

Vibration rotation spectra of hydrogen halidesin rare-gas liquids: Q-branch absorption Medina Domínguez, Alejandro Roco, J. M. M. Calvo Hernández, Antonio Velasco Maíllo, Santiago Rotación molecular Molecular rotation Near-infrared spectra of HCl highly diluted in liquid Ar show intense absorption in the P-R interbranch region, so-called Q-branch absorption. In spite of its relevance for the shape of the bands, its physical origin has been elusive to date. We employ molecular dynamics simulations to study the influence of some physical effects that could contribute toQ-branch absorption. We check that multipole-induced dipole induction mechanisms are not quantitatively relevant in this spectral region. We show that the particular characteristics of accurate HCl Ar anisotropic potentials and the peculiar hindered rotational motion they provoke on the diatomic probe are essential to understand Q-branch absorption. 2009-10-07T11:06:00Z 2009-10-07T11:06:00Z 2009-10-07T11:06:00Z 2004 info:eu-repo/semantics/article Medina, A.; Roco, J. M. M.; Hernández, A. C.; Velasco, S. Vibration-Rotation Spectra of Hydrogen Halides in Rare-Gas Liquids: Q-Branch Absorption. Pure and Applied Chemistry 2004, 76 (1), 241–246. https://doi.org/10.1351/pac200476010241. http://hdl.handle.net/10366/19223 http://hdl.handle.net/10366/19223 10.1351/pac200476010241 eng doi.org/10.1351/pac200476010241 https://creativecommons.org/licenses/by-nc-nd/3.0/ info:eu-repo/semantics/openAccess Attribution-NonCommercial-NoDerivs 3.0 Unported Blackwell's (Oxford, Gran Bretaña)