Journal of Chemical Physics, Vol.101, No.6, 4547-4560, 1994
Potential-Energy Surfaces for the Interaction of CH(X (2)Pi,B (2)Sigma(-)) with Ar and an Assignment of the Stretch-Bend Levels of the Arch(B) Van-der-Waals Molecule
New multireference, configuration-interaction potential energy surfaces are reported for the interaction of Ar with the CH radical in its ground (X (2) Pi) and second excited (B (2) Sigma(-)) electronic states. These potential energy surfaces are then used in an adiabatic analysis of the rovibronic levels of the ArCH(X) and ArCH(B) van der Waals complexes. A qualitative discussion of the expected features in the B <-- X electronic spectrum of ArCH is presented, and these are compared with the experimental spectrum reported earlier by Lemire et al. [J. Chem. Phys. 99, 91 (1993)].
Keywords:ROTATIONALLY INELASTIC-COLLISIONS;SHELL VANDERWAALS COMPLEXES;CONFIGURATION-INTERACTION CALCULATIONS;HIGH-RESOLUTION SPECTROSCOPY;LASER-INDUCED FLUORESCENCE;CLOSE-COUPLING APPROACH;PI-ELECTRONIC STATES;DIATOMIC MOLECULE;OH-AR;STRUCTURELESS TARGET