Gina L. Hoatson and Robert L. Vold of the College of William and Mary are supported by the Experimental Physical Chemistry Program in their continuing studies using solid-state deuteron nuclear magnetic resonance (NMR) spectroscopy and the extension of their work using nitrogen-14 and carbon-13 NMR. To overcome the low chemical shift resolution inherent using standard methods for obtaining solid-state deuteron NMR, they will use magic angle spinning (MAS) experiments to measure very slow motional rates. For carbon-13, they plan to exploit a new two dimensional methodology, Variable Angle correlation SpectroscopY (VACSY), and obtain information about orientation dependent relaxation by combining this with spin temperature alternation. For nitrogen-14, the PIs propose to use overtone spectroscopy with stochastic excitation as an alternative to the technically demanding direct detection of single quantum nitrogen-14 NMR signals. These new techniques are to be applied to urea inclusion compounds and dendritic polyamidoamines. New uses of molecular dynamic simulations for interpreting NMR data for complex molecular assemblies will also be explored. This work involves novel multinuclear NMR techniques for determining structure and dynamics in complex molecular assemblies. An improved understanding of order and motion at the molecular level will increase knowledge of how these correlate with macroscopic properties. Eventually, this cognition may help direct the design of new materials with properties optimized for specific applications.
