INTERMOLECULAR FORCE-FIELD AND APPROXIMATE EQUILIBRIUM STRUCTURE OF VARIOUS COMPLEXES CONTAINING ONE OR 2 RARE-GAS ATOMS FROM MICROWAVE SPECTROSCOPIC CONSTANTS
Rpa. Bettens et al., INTERMOLECULAR FORCE-FIELD AND APPROXIMATE EQUILIBRIUM STRUCTURE OF VARIOUS COMPLEXES CONTAINING ONE OR 2 RARE-GAS ATOMS FROM MICROWAVE SPECTROSCOPIC CONSTANTS, Molecular physics, 86(3), 1995, pp. 487-511
The quartic centrifugal distortion constants of a class of van der Waa
ls complexes containing one or two rare gas atoms have been used to de
termine a complete force field for the intermolecular vibrations. In s
uch complexes with C-s or C-2v symmetry the rare gas atom is attached
above a symmetry plane or two rare gas atoms are arranged symmetricall
y to this plane. Small amplitude motions and an analytical form of an
anharmonic interaction potential have been assumed for the centrifugal
distortion analysis. Vibrational corrections have been applied to two
of the planar moments of inertia for the estimation of a pseudoequili
brium structure. The influence of the intramolecular vibrations on the
centrifugal distortion of these complexes has also been considered.