Spin-orbit coupling in O2(v)+O2 collisions. II. Quantum scattering calculations on dimer states involving the XΣg−3, aΔg1, and bΣg+1 states of O2

摘要: The dynamics of collisional deactivation O2(XΣg−3,v=20–32) by O2(XΣg−3,v′=0) is investigated in detail means quantum-mechanical calculations. theoretical approach involves ab initio potential energy surfaces correlating to the XΣg−3, aΔg1, and bΣg+1 states O2 their corresponding spin-orbit couplings [F. Dayou, M. I. Hernandez, J. Campos-Martinez, R. Hernandez-Lamoneda, Chem. Phys. 123, 074311 (2005)]. Accurate Rydberg-Klein-Rees potentials are included order improve description vibrational structure fragments. calculated Boltzmann-averaged depletion probabilities display a dependence with v good agreement experimental measurements. onset vibrational-to-electronic (V-E) mechanism noticeable for v⩾26, it due transfer both aΔg1 diatom. For O2(XΣg−3,v=28), further sharp increase removal caused near degeneracy O2(bΣg+1,v=19) state. Analysis temperature indicates transition from vibrational-to-translational V-E regime, which can be traced back behavior inelastic as functions kinetic energy. Furthermore, branching ratios outcomes through three different electronic show strong propensity towards populating unique level within each These results provide supported evidence that account large portion “dark channel” reported total New insight investigations also given.The s...