The microwave spectrum and structure of the neon-phosphorus trifluoride complex

Abstract

Symmetric top spectra were observed for the 20Ne[middle dot]PF3 and 22Ne[middle dot]PF3 van der Waals dimers using a Fourier-transform microwave spectrometer. The center-of-mass distance between Ne and PF3 is 3.373(3) A. The experimental data, in conjunction with the van der Waals radii of the atoms and with ab initio calculations, are consistent with the neon atom on the symmetry axis over the F3 face of the PF3. Normal mode analysis of the van der Waals vibrations based on the centrifugal distortion constants yields force constants fR = 0.00647 mdyn A-1 and f[Theta] = 0.00464 mdyn A for the 20Ne[middle dot]PF3 isotopic species.