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

Abstract

Symmetric top spectra were observed for the 20Ne·PF 3 and 22Ne·PF 3 van der Waals dimers using a Fourier-transform microwave spectrometer. The center-of-mass distance between Ne and PF 3 is 3.373(3) Å. 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 F 3 face of the PF 3. Normal mode analysis of the van der Waals vibrations based on the centrifugal distortion constants yields force constants f R = 0.00647 mdyn Å −1 and f Θ = 0.00464 mdyn Å for the 20Ne·PF 3 isotopic species.