Quantum interference in H + HD -> H2 + D between direct abstraction and roaming insertion pathways

Understanding quantum interferences is essential to the study of chemical reaction dynamics. Here, we provide an interesting case of quantum interference between two topologically distinct pathways in the H + HD -> H2 + D reaction in the collision energy range between 1.94 and 2.21 eV, manifested as oscillations in the energy dependence of the differential cross section for the H2 (v' = 2, j' = 3) product (where v' is the vibrational quantum number and j' is the rotational quantum number) in the backward scattering direction. The notable oscillation patterns observed are attributed to the strong quantum interference between the direct abstraction pathway and an unusual roaming insertion pathway. More interestingly, the observed interference pattern also provides a sensitive probe of the geometric phase effect at an energy far below the conical intersection in this reaction, which resembles the Aharonov–Bohm effect in physics, clearly demonstrating the quantum nature of chemical reactivity.

Source: ScienceNOW - May 13, 2020 Category: Science Authors: Xie, Y., Zhao, H., Wang, Y., Huang, Y., Wang, T., Xu, X., Xiao, C., Sun, Z., Zhang, D. H., Yang, X. Tags: Chemistry reports Source Type: news