The O(3P) + H2(ν ⩽2, j, mj) →OH(ν′ ⩽2, j′, mj′) + H reaction

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Abstract
Vibrationally adiabatic distorted wave calculations of vibration-rotation product distributions and differential cross sections have been carried out for the reaction O(3 P) + H2(ν ⩽ 2, j, mj ) →OH (ν′ ⩽ 2, j′, mj′ ) + H. A LEPS potential energy surface of Johnson and Winter, and a fitted ab initio potential surface of Schinke and Lester have been used. The calculations have been performed over a range of translational energies close to the quasiclassical dynamical thresholds. The relative vibration-rotation product distributions for both potential surfaces and the differential cross sections are very similar as are the energy dependences of these quantities. Reactions for which ν →ν′ = ν are favoured over reactions for which ν →ν′ ≠ ν, in agreement with quasiclassical results. Initial vibrational excitation enhances reaction, in agreement with quasiclassical and experimental studies. The relative product state rotational distributions are unimodal, insensitive to the value of the initial rotational state j and broaden quite appreciably with initial translational energy for all ν. Over 25 per cent of the available energy is present in product rotation for the ν = 0 reaction at energies above the quasiclassical threshold. Cross sections with mj = 0 →mj′ = 0 are much larger than cross sections for which mj ≠ 0 or mj′ ≠ 0. The differential cross sections are backward peaked for all ν at low energies, with the peak moving towards forward angles as the initial translational energies are increased above the quasiclassical thresholds.

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