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Effects Of Molecular Motion On Deuteron Magic Angle Spinning Nmr Spectra, Yuanyuan Huang
Effects Of Molecular Motion On Deuteron Magic Angle Spinning Nmr Spectra, Yuanyuan Huang
Dissertations, Theses, and Masters Projects
Solid state deuteron NMR experiments, especially magic angle spinning (MAS) and off-magic angle spinning (OMAS), are developed to explore dynamical systems. A theoretical discussion of interactions relevant for spin-1 nuclei is presented. Practical aspects of MAS/OMAS experiments are described an detail. The dominant quadrupolar coupling interaction in deuteron NMR has been simulated and the effects of multiple-frame molecular motions on MAS/OMAS spectra are taken into account in this calculation. Effects of chemical shift anisotropy are also simulated, and shown to be small under conditions of rapid sample spinning.;Two numerical methods, direct integration and an efficient simulation routine based on Floquet …