Huge Quantum Symmetry Effect in the O + O2 Exchange Reaction.
We report extensive, full quantum-mechanical calculations for the (16)O + (16)O(16)O → (16)O(16)O + (16)O collisions, for both inelastic and atom exchange processes, using a time-independent method based on hyperspherical coordinates. The rates obtained in the present study are much larger than the previously reported ones for this system. The discrepancy is attributed to a huge symmetry effect that was missing in the studies so far. This effect differs from the well-known isotope effect. Importance of this quantum effect is further confirmed by comparison with results for the (16)O + (18)O(18)O → (16)O(18)O + (18)O, exchange reaction.
†Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR CNRS 6303, Université de Bourgogne, 21078 Dijon Cedex, France.
Tammineni Rajagopala
TR
Rao
†Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR CNRS 6303, Université de Bourgogne, 21078 Dijon Cedex, France.
Grégoire
G
Guillon
‡School of Chemistry, University of Hyderabad, Hyderabad 500046, India.
Susanta
S
Mahapatra
†Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR CNRS 6303, Université de Bourgogne, 21078 Dijon Cedex, France.|§UFR Sciences et Techniques, Université de Franche-Comté, 25030 Besançon Cedex, France.
Pascal
P
Honvault
Ozone; exchange reactions; permutation symmetry effect; quantum mechanical method; rate constant