Chapter published in Annual Reports on NMR Spectroscopy

¹⁷O NMR as a Tool in Discrete Metal Oxide Cluster Chemistry

in Annual Reports on NMR Spectroscopy. Link.

C. André Ohlin, William H. Casey

Abstract: This chapter covers recent developments in ¹⁷O NMR spectroscopy as applied to discrete metal oxide clusters, particularly in the context of their use as models in geochemistry and catalysis. Dynamic ¹⁷O NMR methods based on the McConnell–Bloch equations are explored in depth, and recent advances are reviewed. High-pressure NMR methods are also discussed and reviewed, as are recent developments in the use of density functional theory in the computation of ¹⁷O NMR shifts in polyoxometalates. The emphasis of the chapter is on the new developments that promise to reinvigorate ¹⁷O NMR as a central tool in the study of aqueous chemical kinetics, with the most urgent challenges being understanding the rates of isotopic substitution into bridging oxygens in clusters.