title: 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.
abstract: 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.
authors.affiliation: Dipartimento di Ingegneria Civile ed Ambientale, Università di Perugia, I-06100 Perugia, Italy.
authors.forename: David
authors.initials: D
authors.lastname: Cappelletti
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Bartolomei
authors.forename: Estela
authors.initials: E
authors.lastname: Carmona-Novillo
authors.forename: Fernando
authors.initials: F
authors.lastname: Pirani
authors.forename: Ghislain
authors.initials: G
authors.lastname: Blanquet
authors.forename: Franck
authors.initials: F
authors.lastname: Thibault