The rotational supersonic jet Fourier transform microwave spectra of the 35Cl and 37Cl species of the molecular complex chlorofluoromethane-argon show that, in its equilibrium conformation, the argon atom is located out of the ClCF plane, interacting with the F and Cl atoms. All rotational transitions are split in several quadrupole components, each of them further split into two lines, due to the tunneling motion of the Ar atom between two equivalent positions, below and above the ClCF plane. The feasible low energy pathway between the structurally degenerate conformations is described, in a first approximation, by a circular motion around the C-Cl bond, with barriers estimated to be about 61 and 100 cm-1.
P. Ottaviani, J.-U. Grabow, W. Caminati (2006). Tunneling motions of argon on chlorofluoromethane. THE JOURNAL OF CHEMICAL PHYSICS, 125, 194302-1-194302-6 [10.1063/1.2378625].
Tunneling motions of argon on chlorofluoromethane
OTTAVIANI, PAOLO;CAMINATI, WALTHER
2006
Abstract
The rotational supersonic jet Fourier transform microwave spectra of the 35Cl and 37Cl species of the molecular complex chlorofluoromethane-argon show that, in its equilibrium conformation, the argon atom is located out of the ClCF plane, interacting with the F and Cl atoms. All rotational transitions are split in several quadrupole components, each of them further split into two lines, due to the tunneling motion of the Ar atom between two equivalent positions, below and above the ClCF plane. The feasible low energy pathway between the structurally degenerate conformations is described, in a first approximation, by a circular motion around the C-Cl bond, with barriers estimated to be about 61 and 100 cm-1.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
