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Electron Compton-like quasielastic scattering from H2, D2, and HD.

R A Bonham1, G Cooper, A P Hitchcock

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The Journal of Chemical Physics
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An anomaly in hydrogen (H2) and deuterium (D2) scattering was observed. Scattering theory calculations could not fully explain the observed cross-section ratio anomaly in a mixed H2/D2 sample.

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Area of Science:

  • Atomic and Molecular Physics
  • Chemical Physics
  • Scattering Theory

Background:

  • Recent experiments reported a significant anomaly in the quasielastic scattering cross-section ratio of D2 to H2 in a 50:50 mixture.
  • The expected behavior, based on elemental content, suggested similar spectra for HD and the H2/D2 mixture, contrary to experimental findings.

Purpose of the Study:

  • To investigate the anomaly in the D2 to H2 quasielastic scattering cross-section ratio in a 50:50 mixture.
  • To explain the discrepancy using scattering theory calculations based on the first Born and Born-Oppenheimer approximations.

Main Methods:

  • Calculated relative contributions of translational, vibrational, and rotational excitations for H2 and D2 at various temperatures.
  • Employed first Born and Born-Oppenheimer approximations in scattering theory.
  • Compared computed spectra with experimental data for HD, H2/D2 mixtures, and pure H2 and D2.

Main Results:

  • Calculations showed good agreement with experimental spectral line shapes for all samples.
  • Predicted peak positions closely matched experimental data, with a minor shift observed for D2.
  • The anomalous cross-section ratio of D2 to H2 in the 50:50 mixture could not be accounted for by the theoretical approach.

Conclusions:

  • While scattering theory accurately predicts spectral line shapes and peak positions, it fails to explain the observed anomaly in the D2/H2 cross-section ratio in mixed samples.
  • The anomaly likely stems from factors not fully captured by the first Born and Born-Oppenheimer approximations used in this study.