The potential energy surface of the Ar-CO complex obtained using high-resolution data.
A potential energy surface is retrieved for the Ar-CO complex by carrying out a global analysis of its high-resolution spectroscopic data. The data set consists of already published microwave and infrared data and of new microwave transitions which are presented in the paper. The theoretical approach used to reproduce the spectrum is based on a model Hamiltonian which accounts simultaneously for the two large amplitude van der Waals modes and for the overall rotation of the complex. Only the vCO = 0 state is considered. The root-mean-square deviation of the analysis is 18 MHz for the microwave data and 1.4 x 10(-3) cm(-1) for the infrared energy difference data. Fifteen parameters corresponding to the potential energy function are determined in addition to two kinetic energy parameters and two distortion-type parameters. The potential energy surface derived is in good agreement with the one obtained by Shin, Shin, and Tao [J. Chem. Phys. 104, 183 (1996)].
Coudert
L H
LH
Laboratorie de Photophysique Moléculaire, CNRS, Bâtiment 350, Université de Paris-Sud, 91405 Orsay, Cedex, France. laurent.coudert@ppm.u-psud.fr
Pak
I
I
Surin
L
L