Unlike the compounds of the natural air atmosphere, the lightning systems are primarily focused on NO(X2Π), NO2(12A′), and O(3P) concentrations that occurred newly and highly in the ground electronic structure. While the NO/NO2 concentrations ratio is about 2000 during the lightning flash, this ratio becomes about 0.8 right after the lightning flash. The reason for this decrease in the ratio is the disappearance of the high temperature that prevents the formation of NO2 (with the combination of NO and O) and of the photon energy that causes its dissociation (NO2 + hv → NO + O) right after the lightning flash. However, this study will focus on the reactions that contribute to the NO concentration, except for the combination of N and O atoms during lightning flash. To do this, it was focused on the reactive scattering states (especially the NO-exchange) of the NO + O collision and the photo-dissociation of NO2, which provide the formation of the NO molecule in the ground electronic state. This case raises important questions. To what extent do the NO-exchange reaction and the photo-dissociation of NO2 contribute to the atmospherically observed NO molecules? or how can the vibrational quantum states of the NO molecules formed by the photo-dissociation be effected on the NO + O1 collision to produce a NO1 molecule? These conditions may contribute to the concentrations of NO high during lightning flashes. Under low collision energy (between 0.1 and 0.3 eV), the NO (v = 0) population dissociated by a photon can act as reactants in the NO-exchange reactive scattering on the doublet electronic state. Since it is assumed that all of the NO2 molecules are due to NO in the lightning flash system, this is one of the reasons that makes the NO population so high during lightning flash. Therefore, in the light of considering that the lightning system supports the formation of highly vibrating molecular groups, it might also support the formation of O2 molecules. In particular, it was shown that the v = 4 quantum state of the NO molecule over the doublet state between collision energies of 0.9–1.5 eV and the v = 5 quantum state of the NO molecule over the quartet state between collision energies of 1.0–1.5 eV contribute to O2 formation.
The H + F 2 → HF + F reaction on ground state potential energy surface is investigated using the quantum mechanical real wave packet and Flux analysis method based on centrifugal sudden approximation. The initial state selected reaction probabilities for total angular momentum J = 0 have been calculated by both methods while the probabilities for J > 0 have been calculated by Flux analysis method. The initial state selected reaction probabilities, integral cross sections and rate coefficients have been calculated for a broad range of collision energy. The resultsshow a large rotational enhancement of the reaction probability. Some resonances were seen in the state-to-state reaction probabilities while state-to-all reaction probabilities and the reaction cross section do not manifest any oscillations and the initial state selected reaction rate constants are sensitive to the temperature.
In this paper the vibration distributions of H+F2 reaction on the ground electronic state, which are important for chemical laser, have been examined. The HF molecule formed by this reaction has been examined depending on the initial and final vibration states in particular collision energies. The results have been obtained using time dependent quantum mechanical Real Wave Packet (RWP) method on Potential Energy Surface (PES), which can be given more realistic values in the strong interaction region. The state to state reaction distributions have been calculated to be able to compare with both experimental results at the collision energy of 0.105 eV and Quasi-Classical Trajectories (QCT) results depended on LEPS potential at the collision energies of 0.494 eV and 0.086 eV. Also in this study, the obtained rate constants have been compared by theoretical and experimental values in the literature and are found to be in good agreement with each other.
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