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Direct three-body atom recombination: Halogen atoms.

Rian Koots1, Grace Ding1, Jesús Pérez-Ríos1

  • 1Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11790, USA.

The Journal of Chemical Physics
|July 8, 2025
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Summary
This summary is machine-generated.

Direct three-body recombination is essential for halogen atom reactions. This study demonstrates its importance in understanding halogen recombination, aligning with experimental data for bromide and iodine.

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Area of Science:

  • Chemical Physics
  • Physical Chemistry
  • Atomic and Molecular Physics

Background:

  • The recombination of halogen atoms is a long-standing research area in chemical physics.
  • Current theoretical models rely on a two-step mechanism involving unstable intermediate complexes.
  • These models have limitations in fully explaining the dynamics of atom recombination.

Purpose of the Study:

  • To investigate the role of direct three-body recombination in halogen atom reactions.
  • To explore the mechanism X + X + M → X2 + M, where X is a halogen atom and M is a rare gas atom.
  • To provide a more complete theoretical understanding of halogen recombination.

Main Methods:

  • Theoretical consideration of the direct three-body recombination pathway.
  • Comparison of theoretical predictions with experimental measurements of bromide and iodine recombination.

Main Results:

  • The direct three-body recombination mechanism significantly contributes to halogen recombination reactions.
  • Theoretical results based on this mechanism show strong agreement with experimental data for bromide and iodine.
  • This finding challenges the exclusive reliance on two-step mechanisms.

Conclusions:

  • Direct three-body recombination is a crucial pathway in halogen recombination.
  • The inclusion of this mechanism enhances the accuracy of theoretical models for halogen recombination.
  • This work provides a more comprehensive understanding of halogen atom recombination dynamics.