Rotationally inelastic transitions of hexapole state-selected NO molecules upon their collision with a rare gas atom
par - 8 avril 2009
Date : Jeudi, 30 avril 2009 à 10h30
Conférencier : Steven Stolte
Laser Center and Department of Physical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, Pays-Bas.
Institute of Atomic and Molecular Physics, Jilin University, Changchun 130021, Chine.
Laboratoire Francis Perrin (CNRS-URA-2453), DSM/DRECAM/Service des Photons, Atomes et Molécules, CEA Saclay, F-91191 Gif-sur-Yvette Cedex, France.
Lieu : Bibliothèque du LPMAA (Bât C - rez-de-chaussée - Immeuble Raphaël, pièce ONO9)
Contacts : Christof Janssen
Abstract : A beam of hexapole state selected NO (2Π1/2 , ν = 0, j = 0.5f) molecules collides onto
an Ar, He or D2 target beam. At a collision energy of about 500 cm-1 the state-to-state resolved integral cross sections, the differential cross sections and the steric asymmetry have been
experimentally determined for the spin-orbit state conserving, and the spin-orbit state changing transitions.
All compare well with the quantum-mechanical close-coupling calculations, carried out on the most recent ab initio potential. Earlier, it was shown that the Quasi Quantum Treatment (QQT) is able to elucidate the quantum interference phenomena of rotationally inelastic collisions that conserve the spin-orbit state for a closed-shell type repulsive potential. The QQT treatment is now extended to include also the electronic coordinate into the scattering problem. This allows to include non Born-Oppenheimer transitions, such as the spin-orbit state changing
rotational transitions of a 2Π open-shell NO molecule. This is realized by incorporating the azimuth angle χ of the unpaired π electron orbital around the NO axis as the electronic variable on which both, the incoming and the outgoing hard-shell molecular wave functions depend. These new QQT results will be compared to the experimental results, and the theoretical predictions that were obtained from exact close-coupling scattering calculations carried out on the most recent ab initio Potential Energy Surfaces (PESs).
Annonce :
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