Unstable intermediates. Part LXXXIV. E.s.r. study of the radical XeF in γ-irradiated XeF2

Abstract

The magnetic parameters derived from the e.s.r. spectrum of XeF in γ-irradiated XeF₂ at 77 K are comparable with those previously derived for this radical in XeF₄. Small differences can be adequately explained in terms of minor librations in XeF₄. The results are compared with those for V_K centres in alkali halides and environmental effects for these radical anions are discussed. Spin-densities calculated from the ¹⁹F and ¹²⁹Xe atomic values suggests that the unpaired electron is in an orbital comprising 2s and 2p AOs on fluorine and 5s and 5p AOs on Xe. There is no need to invoke participation of the Xe 5d level, and any large admixture is improbable.