A COMPARISON OF EXPRIMENTAL AND AB INITIO CROSS SECTIONS FOR ROTATIONALLY AND VIBRATIONALLY INELASTIC SCATTERING FROM $S_{1}$ GLYOXAL IN COLLISIONS WITH He.
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Date
1991
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Ohio State University
Abstract
Crossed molecular beams have been used to study rotationally and vibrationally inelastic scattering from several vibrational-rotational initial levels of $^{1}A_{0} (S_{1})$ glyoxal in collisions with He. The cross sections obtained in our spectroscopic experiments can now be compared to those predicted by ab initio calculations [Kroes, Rettschnick and Clary, Chem. Phys. 148, 359 (1990)]. The predictions show that substantial differences exist between the cross sections for rotationally inelastic scattering from the $0^{0}$ and $7^{2}$ initial levels. The calculations also show that there are differences between the rotationally inelastic scattering cross sections from the $0^{0}$ level for scattering by $H_{2}$ and He. The emerging experimental data for inelastic scattering of glyoxal with He shows the same trends. The experimental cross sections for excitation (or de-excitation) are larger for scattering from $7^{2}$ than for $0^{0}$ and the rotationally inelastic cross sections for scattering from $0^{0}$ depend on whether $H_{2}$ or He are used as the collision partners.
Description
Author Institution: Department of Chemistry, School of Science, Griffith University; Chemistry Division, Argonne National Laboratory; Department of Chemistry, Indiana University; IBM Almaden Research Center, Indiana University