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Ab initio intermolecular potential of Ar-C2H2 refined using high-resolution spectroscopic data

Clément Lauzin1, Laurent H Coudert, Michel Herman

  • 1Service de Chimie quantique et Photophysique CP160/09, Faculté des Sciences, Université Libre de Bruxelles (ULB) , Av. Roosevelt, 50, B-1050 Bruxelles, Belgium.

The Journal of Physical Chemistry. A
|October 12, 2013
PubMed
Summary

High-resolution infrared spectra of the argon-acetylene (Ar-C2H2) complex revealed new subbands and refined intermolecular potential energy surfaces. Analysis of the ground vibrational state was satisfactory, but discrepancies arose for the excited stretching state.

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