POTENTIAL-ENERGY SURFACES FOR THE (ARCO)+ SYSTEM

The five lowest doublet potential energy surfaces for the (ArCO) + system have been determined using the procedure of Archirel and Levy. These states correlate at infinite separation, in order of increasing energy, to Ar+CO+ (X2Σ+), Ar+ (2P3/2) + CO, Ar+ (2P1/2) + CO, and Ar + CO+ (A2Π). The potential energy curves are shown at several values of the orientation angle. In addition, contour maps of the two lowest surfaces are presented. Both of these surfaces are quite anisotropic, and each has a deep potential well. Adiabatic vibronic potential energy surfaces have also been computed. These give insight into the charge transfer process at low collision energies. For the purpose of comparison the five lowest surfaces for the isoelectrbnic system (ArN2)+ are also shown. © 1990 American Institute of Physics.