Energy transfer in ArCl^{+} collisions
Abstract
Experimentally, the transitions between ^{3}P and ^{1}D terms of Cl^{+} have been observed in the inelastic collision between Cl^{+} and Ar. The transfers are modeled through LandauZener types of processes at the points where the potentialenergy surfaces of the electronic states of ArCl^{+} cross. The potentialenergy curves of ten electronic states of ArCl^{+} arising from Ar(^{1}S)+Cl^{+}(^{3}P), Ar(^{1}S)+Cl^{+}(^{1}D), and Ar^{+}(^{2}P)+Cl(^{2}P) dissociations are computed using the complete activespace multiconfiguration selfconsistent field method followed by firstorder configurationinteraction calculations. In addition, relativistic configurationinteraction calculations are carried out for the lowlying states of ArCl^{+}, with the objective of computing spinorbit effects. These calculations reveal the existence of three bound states (^{3}Π, ^{1}Σ^{+}, and ^{1}) for which spectroscopic constants and dipole moments are obtained. The ground state is a ^{3}Π state with a dissociation energy of 0.32 eV, while the excited ^{1}Σ^{+} is bound at least by 1.81 eV with respect to Ar(^{1}S)+Cl^{+}(^{1}D). The calculations predict that ArCl^{+} is stable and long lived. The Mulliken population analysis of the electronic states of ArCl^{+} reveals considerable charge transfer from Ar to Cl^{+} in the ^{1}Σ^{+} and ^{1}Π states.
 Publication:

Physical Review A
 Pub Date:
 May 1988
 DOI:
 10.1103/PhysRevA.37.3204
 Bibcode:
 1988PhRvA..37.3204B
 Keywords:

 Argon;
 Atomic Collisions;
 Chlorine;
 Energy Transfer;
 Rare GasHalide Lasers;
 Configuration Interaction;
 Electron States;
 Inelastic Collisions;
 Molecular Ions;
 Atomic and Molecular Physics;
 31.20.Di;
 34.30.+h;
 34.50.s;
 Intramolecular energy transfer;
 intramolecular dynamics;
 dynamics of van der Waals molecules;
 Scattering of atoms and molecules