Output details
13 - Electrical and Electronic Engineering, Metallurgy and Materials
University of Oxford
High-resolution 19F MAS NMR spectroscopy: Structural disorder and unusual J couplings in a fluorinated hydroxy-silicate
NMR spectroscopy combined with Materials modelling is used to study disorder and bonding in clinohumite, which is of considerable interest as a model for the incorporation of water within the Earth’s upper mantle. As well as characterising the nature of the disorder in the mineral, unusual F-F J-couplings were observed. Calculations reveal that the mechanism of these J couplings has a significant “through-space” component, unlike more commonly observed J couplings that are considered to be mediated via the electrons in covalent bonds. This overturns a widely held assumption in the NMR community. JRY was the sole theoretician on this work.
