Dynamics of the S(D21)+HD(j=0) Reaction at Collision Energies Approaching the Cold Regime: A Stringent Test for Theory

Manuel Lara, Simon Chefdeville, Kevin M. Hickson, Astrid Bergeat, Christian Naulin, Jean-Michel Launay, and Michel Costes
Phys. Rev. Lett. 109, 133201 – Published 27 September 2012

Abstract

We report integral cross sections for the S(1D2)+HD(j=0)DS+H and HS+D reaction channels obtained through crossed-beam experiments reaching collision energies as low as 0.46 meV and from adiabatic time-independent quantum-mechanical calculations. While good overall agreement with experiment at energies above 10 meV is observed, neither the product channel branching ratio nor the low-energy resonancelike features in the HS+D channel can be theoretically reproduced. A nonadiabatic treatment employing highly accurate singlet and triplet potential energy surfaces is clearly needed to resolve the complex nature of the reaction dynamics.

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  • Received 29 July 2012

DOI:https://doi.org/10.1103/PhysRevLett.109.133201

© 2012 American Physical Society

Authors & Affiliations

Manuel Lara1, Simon Chefdeville2,3, Kevin M. Hickson2,3, Astrid Bergeat2,3, Christian Naulin2,3, Jean-Michel Launay4, and Michel Costes2,3,*

  • 1Departamento de Química Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid, 28049 Madrid, Spain
  • 2Université de Bordeaux, Institut des Sciences Moléculaires, F-33400 Talence, France
  • 3CNRS UMR 5255, F-33400 Talence, France
  • 4Institut de Physique de Rennes, CNRS UMR 6251—Université de Rennes 1, Campus de Beaulieu, 35042 Rennes Cedex, France

  • *To whom all correspondence should be addressed. michel.costes@u-bordeaux1.fr

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Vol. 109, Iss. 13 — 28 September 2012

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