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Cappelletti D, Bartolomei M, Sabido M, et al. Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: experiments and calculations on a new potential energy surface. J Phys Chem A. 2005;109(38):8471-80doi: 10.1021/jp051347x.
Cappelletti, D., Bartolomei, M., Sabido, M., Pirani, F., Blanquet, G., Walrand, J., Bouanich, J. P., & Thibault, F. (2005). Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: experiments and calculations on a new potential energy surface. The journal of physical chemistry. A, 109(38), 8471-80. https://doi.org/10.1021/jp051347x
Cappelletti, David, et al. "Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: experiments and calculations on a new potential energy surface." The journal of physical chemistry. A vol. 109,38 (2005): 8471-80. doi: https://doi.org/10.1021/jp051347x
Cappelletti D, Bartolomei M, Sabido M, Pirani F, Blanquet G, Walrand J, Bouanich JP, Thibault F. Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: experiments and calculations on a new potential energy surface. J Phys Chem A. 2005 Sep 29;109(38):8471-80. doi: 10.1021/jp051347x. PMID: 16834243.
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J Phys Chem A. 2005 Sep 29;109(38):8471-80. doi: 10.1021/jp051347x.

Collision cross sections, pressure-broadening coefficients and second virial coefficients for the acetylene-argon complex: experiments and calculations on a new potential energy surface.

The journal of physical chemistry. A

David Cappelletti, Massimiliano Bartolomei, Marta Sabido, Fernando Pirani, Ghislain Blanquet, Jacques Walrand, Jean-Pierre Bouanich, Franck Thibault

Affiliations

  1. Dipartimento di Ingegneria Civile ed Ambientale, Università di Perugia, Perugia, Italy. [email protected]

PMID: 16834243 DOI: 10.1021/jp051347x

Abstract

Integral cross sections and pressure-broadening coefficients have been measured by molecular beam scattering and by high-resolution infrared spectroscopy, respectively, for the acetylene-argon system. 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. Calculations of the scattering cross sections (both differential and integral), pressure-broadening, and second virial coefficients have been performed using both the present and also the most recent ab initio PES available in the literature. Analysis of the new experimental data indicates that the anisotropy of the interaction in the well region should be larger than that obtained in ab initio calculations. This is also in line with previous spectroscopic results.

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