Intermolecular interaction potentials for the Ar-C2H2, Kr-C2H2, and Xe-C2H2 weakly bound complexes: information from molecular beam scattering, pressure broadening coefficients, and rovibrational spectroscopy. - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2007

Intermolecular interaction potentials for the Ar-C2H2, Kr-C2H2, and Xe-C2H2 weakly bound complexes: information from molecular beam scattering, pressure broadening coefficients, and rovibrational spectroscopy.

Résumé

Integral cross sections and pressure broadening coefficients have been measured for the acetylene-krypton complex, by molecular beam scattering and by high resolution IR spectroscopy, respectively. A new potential energy surface (PES) is proposed to describe structure and dynamical properties of this prototypical weakly bound complex. The PES has been parametrized exploiting a novel atom-bond pairwise additive scheme and has been fitted to the experimental data. A similar PES has been obtained for the acetylene-xenon system by a proper scaling of the interaction parameters of the krypton case, based on empirical considerations. These PESs together with that recently proposed by the same authors [J. Phys. Chem. 109, 8471 (2005)] for the acetylene-argon case have been employed for close coupling calculations of the pressure broadening cross sections and for a characterization of the rovibrational structure of the complexes.

Domaines

Biophysique

Dates et versions

hal-00908272 , version 1 (22-11-2013)

Identifiants

Citer

David Cappelletti, Massimiliano Bartolomei, Estela Carmona-Novillo, Fernando Pirani, Ghislain Blanquet, et al.. Intermolecular interaction potentials for the Ar-C2H2, Kr-C2H2, and Xe-C2H2 weakly bound complexes: information from molecular beam scattering, pressure broadening coefficients, and rovibrational spectroscopy.. Journal of Chemical Physics, 2007, 126 (6), pp.064311. ⟨10.1063/1.2434174⟩. ⟨hal-00908272⟩
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