Fig. 2: OH(X2Π) ro-vibrational state-resolved probabilities in the non-reactive quenching channel.
From: Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A2Σ+) by H2
a,b, Experimental31 results at the collision energy of 0.05 eV. c–h, Theoretical results at three collision energies: 0.05 eV (c,d); 0.16 eV (e,f); and 0.30 eV (g,h). The experimental results in the left and right columns are for the F1 (Ω = 3/2) spin–orbit manifold of OH Π(A′) (a) and OH Π(A″) (b), respectively, where Ω is the projections total electronic (spin and orbital) angular momenta onto the internuclear axis; the theoretical results in the left and right columns are for the 1A′ (c,e,g) and 1A″ (d,f,h) states, respectively. The theoretical results show a good agreement with experimental observations, which show that the OH(X) products are dominantly in the ground vibrational state (v = 0) with a broad rotational state distribution peaking at N″OH = 15. The weak vibrational excitation stems from the fact that the O–H bond length at the C∞v MEX is similar to the equilibrium values of OH(A2Σ+) and OH(X2Π), and the rotational excitation is related to anisotropy on the 12A and 22A state surfaces.
