The behaviour of reactive scattering at ultracold temperatures is explored by calculating the real and imaginary parts of the scattering length for the reaction of F with a molecule composed of a pair of pseudo-hydrogen atoms of arbitrary mass. The origin of a low energy feature in the cross section for the reaction of F with H-2 and its absence for the reaction with D-2 is investigated. Close-coupling calculations of the scattering matrix show that the F-H-2 feature arises from the presence of a virtual state associated with the van der Waals well in the entrance channel and that the virtual state is responsible for the enhanced zero temperature rate coefficient of the F-H-2 reaction. For a mass of about 1.12 hydrogen masses the virtual state turns into a zero energy resonance and the corresponding zero temperature rate coefficient is I X 10(-9) cm(3) s(-1) despite an energy barrier of 300 K. Evidence in sup port of the virtual state is also provided by the detection of a deep Ramsauer-Townsend minimum in the elastic component of the total cross section for F-H -2 which the present calculations predict to occur at low energies.
Chemical reactions in the limit of zero kinetic energy: virtual states and Ramsauer minima in F+H-2 -> HF+H / Bodo, Enrico; Gianturco, Francesco Antonio; Balakrishnan, N; Dalgarno, A.. - In: JOURNAL OF PHYSICS. B, ATOMIC MOLECULAR AND OPTICAL PHYSICS. - ISSN 0953-4075. - STAMPA. - 37:(2004), pp. 3641-3648. [10.1088/0953-4075/37/18/007]
Chemical reactions in the limit of zero kinetic energy: virtual states and Ramsauer minima in F+H-2 -> HF+H
BODO, Enrico;GIANTURCO, Francesco Antonio;
2004
Abstract
The behaviour of reactive scattering at ultracold temperatures is explored by calculating the real and imaginary parts of the scattering length for the reaction of F with a molecule composed of a pair of pseudo-hydrogen atoms of arbitrary mass. The origin of a low energy feature in the cross section for the reaction of F with H-2 and its absence for the reaction with D-2 is investigated. Close-coupling calculations of the scattering matrix show that the F-H-2 feature arises from the presence of a virtual state associated with the van der Waals well in the entrance channel and that the virtual state is responsible for the enhanced zero temperature rate coefficient of the F-H-2 reaction. For a mass of about 1.12 hydrogen masses the virtual state turns into a zero energy resonance and the corresponding zero temperature rate coefficient is I X 10(-9) cm(3) s(-1) despite an energy barrier of 300 K. Evidence in sup port of the virtual state is also provided by the detection of a deep Ramsauer-Townsend minimum in the elastic component of the total cross section for F-H -2 which the present calculations predict to occur at low energies.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.