title: S((1)D) + ortho-D2 Reaction Dynamics at Low Collision Energies: Complementary Crossed Molecular Beam Experiments and Theoretical Investigations.
abstract: The excitation function of the S((1)D) + D2 reaction was determined in a crossed molecular beam apparatus for collision energies ranging from 1817 to 47 J mol(-1) in the near-cold regime. A very good overall agreement was found between experimental data and the theoretical results obtained using the ab initio potential energy surface built by Ho and coworkers and different methods: time-independent quantum dynamics (QM), semiclassical mean potential capture theory (sc-MPCT), and quasi-classical trajectories (QCT). The general trend of the experimental excitation function is well reproduced in most of the range by a simple capture calculation with an R(-6) dispersion potential. The present results are discussed in the light of previous studies on the isotopic variants S((1)D) + H2 and HD.
authors.affiliation: Departamento de Química Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid , 28049 Madrid, Spain.
authors.forename: Manuel
authors.initials: M
authors.lastname: Lara
authors.affiliation: Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France.|CNRS, ISM, UMR 5255, F-33400 Talence, France.
authors.forename: Simon
authors.initials: S
authors.lastname: Chefdeville
authors.affiliation: Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France.|CNRS, ISM, UMR 5255, F-33400 Talence, France.
authors.forename: Pascal
authors.initials: P
authors.lastname: Larregaray
authors.affiliation: Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France.|CNRS, ISM, UMR 5255, F-33400 Talence, France.
authors.forename: Laurent
authors.initials: L
authors.lastname: Bonnet
authors.affiliation: Institut de Physique de Rennes, UMR CNRS 6251, Université de Rennes I , F-35042 Rennes, France.
authors.forename: Jean-Michel
authors.initials: JM
authors.lastname: Launay
authors.affiliation: Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France.|CNRS, ISM, UMR 5255, F-33400 Talence, France.
authors.forename: Michel
authors.initials: M
authors.lastname: Costes
authors.affiliation: Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France.|CNRS, ISM, UMR 5255, F-33400 Talence, France.
authors.forename: Christian
authors.initials: C
authors.lastname: Naulin
authors.affiliation: Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France.|CNRS, ISM, UMR 5255, F-33400 Talence, France.
authors.forename: Astrid
authors.initials: A
authors.lastname: Bergeat