Xenon-129 pulse Fourier-transform nuclear magnetic resonance spectroscopy

Abstract

High-resolution xenon-129 pulsed Fourier-transform NMR studies have been carried out on a variety of 129Xe-containing compounds. New chemical shift data for this heavy nucleus in a wide range of oxidation states are summarized. The chemical shift range for 129Xe in its compounds exceeds 4000 ppm which is consistent with large paramagnetic contributions to the shielding constant. In lieu of a comprehensive theory of heavy element chemical shifts, empirical correlations among !29Xe chemical shifts are described which provide a sensitive probe for assessing the degree of ionic character in the Xe-F bond.

DFT Study of the NMR Properties of Xenon in Covalent Compounds and van der Waals Complexes—Implications for the Use of 129Xe as a Molecular Probe

“…The simplest species that XeF can form in superacid solutions is probably Xe 2 F 3 , that is, a fluoride-bonded [FXeÀFÀXeF] dimer, which was indeed postulated [45] as a possible actual structure of XeF in such media. A calculation for Xe 2 F 3 ( Tables 1 and 2) The case of XeCl deserves particular attention, since an experimental NMR spectrum has been carefully obtained very recently.…”

The structure of xenon hexafluoride in the solid state

“…In inert solvents with low polarity (CF 2 Cl 2 , SO 2 ClF, F 5 SOSF 5 ) the fluxional tetramer Xe 4 F 24 is observed by 19 F and 129 Xe NMR at temperatures below À120 8C, where by all 24 fluorine atoms and the 4 xenon atoms are magnetically equivalent. This seems to be the highest multiplicity of a non-rigid system [9][10][11][12].…”

NMR spectroscopic study of xenon fluorides in the gas phase and of XeF2 in the solid state

“…The absence of significant intermolecular interactions in the gas phase makes the degree of deshielding dependant upon intramolecular effects. Xenon hexafluoride has been shown to exist as a (XeF 6 ) 4 tetramer in solution [15]. In the gas-phase, XeF 6 exists as a monomer having a monocapped octahedral geometry that is the result of a stereochemically active valence electron lone pair [16].…”