Quantum mechanical calculations on the Ar++N2 charge transfer reaction

Abstract

Calculations of cross sections for the charge transfer reaction Ar+(2P3/2)+N2(v=0, j) →Ar+N+2(v′=1, j′) are reported for thermal collision energies. A three-dimensional quantum-mechanical method is used in which separate rotational close-coupling calculations are performed for the Ar++N2(v=0)→Ar+N+2(v′=0) and Ar++N2(v=1) →Ar+N+2 (v′=1) channels, and the cross sections for the v=0→v′=1 channel are computed using a coupled channel-distorted wave Born approximation. Potential energy surfaces and couplings are taken from ab initio data. The predicted rotational product distributions for N+2 (v′=1, j′) agree fairly well with those measured in a molecular beam laser-induced fluorescence experiment.