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Hannover 2010 – scientific programme

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MO: Fachverband Molekülphysik

MO 2: Collisions, Energy Transfer

MO 2.1: Talk

Monday, March 8, 2010, 14:00–14:15, F 142

Stereodynamics of O(3P) + H2 at Erel = 0.5 - 1.0 eV — •Victor Wei-Keh Wu — Victor Basic Research Laboratory e.V. Gadderbaumer-Str. 22, D-33602 Bielefeld, Germany — Department of Chemical and Materials Engineering, National Kaohsiung University of Applied Sciences, 80782 Kaohsiung, Taiwan

QCT calculation of O(3P) + H2 at Erel = 0.5, 0.75 and 1.0 eV on the lowest electronically adiabatic PES 1 3A" (GLDP) of Kuppermann et al. has been done. Distr. P(ϑr) of polar angles between the rel. velocity k of the reactant and rotational angular momentum vector j of the product, distr. P(ϕr) of azimuthal as well as dihedral angles correlating kk′−j, 3-dim. distr. P(ϑr, ϕr), and PDDCSs (polarization-dependent differential cross sections) dependent upon the scattering angle ϑt between the rel. velocity k of the reactant and k of OH at three energies are presented and discussed. OH with the rotational angular momentum vector j preferentially aligned perpendicularly to k. The smaller the relative scattering energy of the two reactants is, the stronger is the alignment of OH at ϑr = 90o. Distr. P(ϕr) becomes sharper when the scattering energy decreases. The (2π/σ)(dσ00/dωt) showed that most of OH are scattered into the backward hemisphere ϑt≥90o. Distr. P(ϕr) becomes sharper when Erel decreases, and OH are scattered at ϑr=90o and ϕr=271o. Curve (2π/σ)(dσ02/dωt) dependent upon ϑt, which is proportional to the alignment moment ⟨ Pk(cosϑt)⟩, shows that j of the scattered OH becomes stronger and stronger aligned when the collision energy decreases. Financial aids from group 1101 of DICP, CAS, and VBR are acknowledged.

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