Publication Abstracts

Green 1985

Green, S., 1985: Rotational exicitation in low-energy CH3CH-He collisions. J. Phys. Chem., 89, 5289-5294, doi:10.1021/j100270a034.

Extensive coupled states (CS) scattering calculations were done for low-energy CH3CN-He collisions, using a theoretical interaction potential, to obtain state-to-state rotational excitation rates at 40 K. These were used to test the accuracy of the infinite-order sudden (IOS) scattering approximation, the IOS scaling law, and the "energy-corrected sudden" (ECS) corrections to the latter. The IOS scattering approximation gives a reasonable interpretation for the findamental rates, R(0,0→j,k), although, as for linear rotors, for highly inelastic collisions a correct interpretation of the IOS energy is important. With CS values for R(j,k→0,0) as input, IOS scaling gives reasonable estimates for the entire matrix of state-to-state rates, especially for those transitions in which k does not change, where the accuracy is typically ±20%; although the accuracy for transitions across k ladders is somewhat less good, it has not been possible to pinpoint the source of this problem due, in large part, to a lack of adequately converged CS rates to some of the higher rotational levels. The ECS corrections were not found to be useful.

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BibTeX Citation

  author={Green, S.},
  title={Rotational exicitation in low-energy CH3CH-He collisions},
  journal={Journal of Physical Chemistry},

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RIS Citation

ID  - gr07100z
AU  - Green, S.
PY  - 1985
TI  - Rotational exicitation in low-energy CH3CH-He collisions
JA  - J. Phys. Chem.
JO  - Journal of Physical Chemistry
VL  - 89
SP  - 5289
EP  - 5294
DO  - 10.1021/j100270a034
ER  -

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