Experimental Studies and Theoretical Predictions for the H + D2 
> HD + D Reaction
L. Schnieder 1,
K. Seekamp-Rahn 1,
J. Borkowski 1,
E. Wrede 1,
K. H. Welge 1,
F. J. Aoiz 2,
L. Bañiares 2,
M. J. D'Mello 3,
V. J. Herrero 4,
V. Sáez Rábanos 5, and
R. E. Wyatt 6
1 Universität Bielefeld, Postfach 100131, 33501 Bielefeld, Germany
2 Departamento de Quimica Fisica, Facultad de Química, Universidad Complutense, 28040 Madrid, Spain
3 4155 National Center for Supercomputing Application, Beckman Institute, 405 North Mathew Avenue, Urbana, IL 61801, USA.
4 Institute de Estructura de la Materia, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid, Spain
5 Departamento de Química General y Bioquímica, ETS Ingenieros de Montes, Universidad Politécnica, 28040 Madrid, Spain
6 Department of Chemistry and Biochemistry, University of Texas, Austin, TX 78712, USA.
The H + H2 exchange reaction constitutes an excellent benchmark with which to test dynamical theories against experiments. The H + D2 (vibrational quantum number v = 0, rotational quantum number j = 0) reaction has been studied in crossed molecular beams at a collision energy of 1.28 electron volts, with the use of the technique of Rydberg atom time-of-flight spectroscopy. The experimental resolution achieved permits the determination of fully rovibrational state-resolved differential cross sections. The high-resolution data allow a detailed assessment of the applicability and quality of quasi-classical trajectory (QCT) and quantum mechanical (QM) calculations. The experimental results are in excellent agreement with the QM results and in slightly worse agreement with the QCT results. This theoretical reproduction of the experimental data was achieved without explicit consideration of geometric phase effects.
Submitted on March 7, 1995
Accepted on May 3, 1995
