Solid-state (2)H NMR spectroscopy has been used to probe the dynamic disorder of hydroxyl deuterons in a synthetic sample of deuterated hydroxyl-clinohumite (4Mg(2)SiO(4).Mg(OD)(2)), a proposed model for the incorporation of water within the Earth's mantle. Both static and magic angle spinning (MAS) NMR methods were used. Static (2)H NMR appears to reveal little evidence of the dynamic process,...

We describe the application of 59Co NMR to the study of naturally occurring cobalamins. Targets of these investigations included vitamin B12, the B12 coenzyme, methylcobalamin, and dicyanocobyrinic acid heptamethylester. These measurements were carried out on solutions and powders of different origins, and repeated at a variety of magnetic field strengths. Particularly informative were the soli...

Reorientational dynamics—motion defined by changes in the direction of a vector or tensor—determine relaxation behavior nuclear magnetic resonance (NMR). However, if multiple processes exist that result reorientation, then analyzing net effects becomes complex task, so one ideally would separate those motions to simplify analysis. The model-free and two-step approaches have established separabi...

In 2001, Mauri and Pickard introduced the gauge including projected augmented wave (GIPAW) method that enabled for the first time the calculation of all-electron NMR parameters in solids, i.e. accounting for periodic boundary conditions. The GIPAW method roots in the plane wave pseudopotential formalism of the density functional theory (DFT), and avoids the use of the cluster approximation. Thi...