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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1991

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Ohio State University

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Crossed molecular beams have been used to study rotationally and vibrationally inelastic scattering from several vibrational-rotational initial levels of 1A0(S1) 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 00 and 72 initial levels. The calculations also show that there are differences between the rotationally inelastic scattering cross sections from the 00 level for scattering by H2 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 72 than for 00 and the rotationally inelastic cross sections for scattering from 00 depend on whether H2 or He are used as the collision partners.

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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

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