Ml. Dubernet et Jm. Hutson, POTENTIAL-ENERGY SURFACES FOR AR-OH (X(2)PI) OBTAINED BY FITTING TO HIGH-RESOLUTION SPECTROSCOPY, The Journal of chemical physics, 99(10), 1993, pp. 7477-7486
Empirical potential energy surfaces for Ar interacting with OH (X2PI)
are obtained by fitting to experimental results from microwave and sti
mulated-emission pumping (SEP) spectra of the Ar-OH complex. The sum V
(II) and difference V2 of the potentials for A' and A'' symmetry are d
etermined. The sum potential is 126 cm-1 deep, which is about 24 cm-1
deeper than the ab initio CEPA potential of Degli Esposti and Werner [
J. Chem. Phys. 93, 3351 (1990)]. The equilibrium geometry is near-line
ar, Ar-H-O, with a barrier to internal rotation of 44 cm-1. The potent
ial satisfactorily reproduces all the parameters obtained from the SEP
experiments, but not the parity doubling obtained from the microwave
spectrum.