We present a quantum mechanical study of the reaction F+D-2 at ultracold temperatures based on the potential energy surface of Stark and Werner. Th e reaction cross section at low energies is controlled by the tunneling through the activation barrier, a mechanism that is favored by the long duration of the collision at those energies. Differences are found in the behavior of the reactive cross section compared to that for F+H-2, due to the changed mass a nd zero point energy. A new feature is detected in the reaction probabilities and is attributed to a Feshbach resonance corresponding to a metastable state in the exit channel.
F+D-2 reaction at ultracold temperatures / Bodo, Enrico; Gianturco, Francesco Antonio; Dalgarno, A.. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 116:(2002), pp. 9222-9227. [10.1063/1.1472515]
F+D-2 reaction at ultracold temperatures
BODO, Enrico;GIANTURCO, Francesco Antonio;
2002
Abstract
We present a quantum mechanical study of the reaction F+D-2 at ultracold temperatures based on the potential energy surface of Stark and Werner. Th e reaction cross section at low energies is controlled by the tunneling through the activation barrier, a mechanism that is favored by the long duration of the collision at those energies. Differences are found in the behavior of the reactive cross section compared to that for F+H-2, due to the changed mass a nd zero point energy. A new feature is detected in the reaction probabilities and is attributed to a Feshbach resonance corresponding to a metastable state in the exit channel.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.