Literature DB >> 17789848

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

L Schnieder, K Seekamp-Rahn, J Borkowski, E Wrede, K H Welge, F J Aoiz, L Bañiares, M J D'Mello, V J Herrero, V S Rábanos, R E Wyatt.   

Abstract

The H + H(2) exchange reaction constitutes an excellent benchmark with which to test dynamical theories against experiments. The H + D(2) (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.

Entities:  

Year:  1995        PMID: 17789848     DOI: 10.1126/science.269.5221.207

Source DB:  PubMed          Journal:  Science        ISSN: 0036-8075            Impact factor:   47.728


  3 in total

1.  Experimental probing of conical intersection dynamics in the photodissociation of thioanisole.

Authors:  Jeong Sik Lim; Sang Kyu Kim
Journal:  Nat Chem       Date:  2010-07-04       Impact factor: 24.427

2.  Quantum interference between H + D2 quasiclassical reaction mechanisms.

Authors:  Pablo G Jambrina; Diego Herráez-Aguilar; F Javier Aoiz; Mahima Sneha; Justinas Jankunas; Richard N Zare
Journal:  Nat Chem       Date:  2015-06-29       Impact factor: 24.427

Review 3.  Visualization of chemical reaction dynamics: toward understanding complex polyatomic reactions.

Authors:  Toshinori Suzuki
Journal:  Proc Jpn Acad Ser B Phys Biol Sci       Date:  2013       Impact factor: 3.493

  3 in total

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