Experimental Studies and Theoretical Predictions for the H + D2 → > HD + D Reaction

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Science  14 Jul 1995:
Vol. 269, Issue 5221, pp. 207-210
DOI: 10.1126/science.269.5221.207


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.