0000000000241717
AUTHOR
I. Litvin
Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion
The low-energy capture of a dipolar diatomic molecule in an adiabatically isolated electronic state with a good quantum number Hund’s coupling case a by an ion occurs adiabatically with respect to rotational transitions of the diatom. However, the capture dynamics may be nonadiabatic with respect to transitions between the pair of the -doubling states belonging to the same value of the intrinsic angular momentum j. In this work, nonadiabatic transition probabilities are calculated which define the -doubling j-specific capture rate coefficients. It is shown that the transition from linear to quadratic Stark effect in the ion-dipole interaction, which damps the T �1/2 divergence of the captur…
Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. I. General axially nonadiabatic channel treatment
The rate coefficients for capture of charged particles by dipolar polarizable symmetric top molecules in the quantum collision regime are calculated within an axially nonadiabatic channel approach. It uses the adiabatic approximation with respect to rotational transitions of the target within first-order charge-dipole interaction and takes into account the gyroscopic effect that decouples the intrinsic angular momentum from the collision axis. The results are valid for a wide range of collision energies (from single-wave capture to the classical limit) and dipole moments (from the Vogt-Wannier and fly-wheel to the adiabatic channel limit).
Lambda-doublet specificity in the low-temperature capture of NO(X Π21/2) in low rotational states by C+ ions
Following our general approach to Lambda-doubling specificity in the capture of dipolar molecules by ions [M. Auzinsh et al., J. Chem. Phys. 128, 184304 (2008)], we calculate the rate coefficients for the title process in the temperature range 10(-4)<T<10(2) K. Three regimes considered are as follows: (i) nonadiabatic capture in the regime of high-field Stark effect with respect to the Lambda-doubling components, (10(-1)<T<10(2) K), (ii) adiabatic capture in the regime of intermediate Stark effect (10(-3)<T<10(-1) K), and (iii) adiabatic capture in the limit of very low temperatures (T<<10(-3) K) in the regime of quadratic Stark effect with respect to the Lambda-doubling and hyperfine compo…
Mutual capture of dipolar molecules at low and very low energies. II. Numerical study.
The low-energy rate coefficients of capture of two identical dipolar polarizable rigid rotors in their lowest nonresonant (j(1) = 0 and j(2) = 0) and resonant (j(1) = 0, 1 and j(2) = 1, 0) states are calculated accurately within the close-coupling (CC) approach. The convergence of the quantum rate coefficients to their quantum-classical counterparts is studied. A comparison of the present accurate numerical with approximate analytical results (Nikitin, E. E.; Troe, J. J. Phys. Chem. A 2010, 114, 9762) indicates a good performance of the previous approach which was based on the interpolation between s-wave fly wheel quantal and all-wave classical adiabatic channel limits. The results obtaine…
Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. II. Interplay between electrostatic and gyroscopic interactions
ally nonadiabatic channel treatment of the capture of charged particles by dipolar polarizable symmetric top molecules with the aim to reveal quantum effects in the collision dynamics. In general, these effects are related to the discrete nature of the intrinsic, orbital, and total angular momenta, to the quantum character of passage of collision partners across effective potential barriers and drops, and to the interplay of two types of anisotropic interactions, the gyroscopic (Coriolis) and the electrostatic ones. The latter feature, in principle, leads to a coupling of capture channels. In the calculation of capture cross sections or rate coefficients, however, this coupling can be ignor…