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 k−k′−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.