Abstract
High-resolution photoelectron spectra, obtained with HeI(584 A) and HeII(304 A) resonance radiation, are reported for NF3, PF3, NOF3, and POF3. A low-resolution HeI spectrum of POCl3 is also reported; vertical ionisation potentials (i.p.) and in many cases estimates of adiabatic i.p. also, are tabulated for all the compounds. The agreement of the experimental orbital assignments with ab initio calculations is excellent for PF3, POF3, PCl3, POCl3, good for NF3, but less good for NOF3. The correlations of the energy levels of PF3 with those of POF3, and of PCl3 with POCl3, follow a simple pattern of strong stabilisation of the lone pair of the donor molecule upon bonding to the O atom, with smaller stabilisations of the remaining orbitals. Correlations of the levels of POCl3 with those of SiCl4, and of POF3 with SiF4 are similarly satisfactory, but no simple pattern appears in the correlation of NOF3 with CF4 or with NF3.
Published Version
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