Reactive scattering of sodium and hydrogen fluoride evolving on an electronically excited surface
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Quantum dynamics studies of the Na(3S) + HF and Na(3S/3P) + DF reactions: The effects of the initial rotational excitation and the isotopic substitution
2019, Chemical Physics LettersCitation Excerpt :The nonadiabatic Na(3P) + HF reaction to form the ground state NaF product is exoergic (by about 1.1 eV) and the process is mediated by the formation of what is called exciplex supported by a well as deep as 0.5 eV relative to the reactant. Despite the large exoergicity and the absence of any barrier higher than the energy of the reactant along the reaction path, the reactivity is found to be so low that a very sensitive detector has to be used to detect the reaction product in the experiments [4,11,18], manifesting a weak interstate coupling. In paper-I, we also reported the nonadiabatic quantum dynamics calculation using the TTCPP-B PES, and the calculated integral cross section (ICS) is in line with the experimental result [18] indicating that the TTCPP-B PES is realistic in describing the coupling terms.
Differential cross sections for elastic and reactive collisions between Na and multiple photon excited SF<inf>6</inf>
1994, Chemical Physics LettersQuantum stereodynamics of the Li+HF(v,j) reactive collision for different initial states of the reagent
1998, Journal of Chemical PhysicsQuantum State-Resolved Nonadiabatic Dynamics of the H+NaF → Na+HF Reaction
2024, Chinese Physics Letters
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Permanent address: Institute of Physics, University of Zagreb, Yugoslavia.