The F + HD (v = 0, 1; j = 1) reaction: angular momentum correlations in the low (<1 meV) collision energy regime

Abstract

A detailed analysis of the low collision energy (0.03–10 meV) integral reaction cross-section has been carried out for the F + HD (v = 0, 1; j = 1)→ HF(DF) + D(H) reaction using accurate, fully converged time-independent hyperspherical quantum dynamics. Particular attention has been paid to the shape (orbiting) resonances and their assignment to the orbital (L) and total (J) angular momenta as well as to the product's state resolved cross-sections at the energies of the resonances. As in previous works, it has been found that the energy position of the resonances depends on the initial state, but is essentially the same for the two exit channels and the product's rovibrational states. The analysis in terms of the orbital and total angular momenta showed that each resonance is characterised by a given value of L but is contributed by several J. The main resonances are due to L = 3 and L = 5 for both F + HD (v = 0, j = 1) and F + HD (v = 1, j = 1) reactions, although they appear at different collision energies. The product's vibrationally resolved excitation functions are found to follow the same pattern as the integral cross-section summed over all final states. A more detailed analysis has been made for the rotationally resolved integral cross-sections associated with L = 3, which gives rise to the main resonance for the two reactions and both product channels, for different final j′ states, showing similar behaviour for all j′ states except for j′ = 0 due to parity conservation. The joint analysis of the final rotational and orbital angular momenta shows that L′ and j′ tend to have an antiparallel orientation.