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Full-Text Articles in Physical Chemistry
Experimental And Theoretical Studies In Nuclear Magnetic Resonance, John D. Persons
Experimental And Theoretical Studies In Nuclear Magnetic Resonance, John D. Persons
Department of Chemistry: Dissertations, Theses, and Student Research
Nuclear Magnetic Resonance (NMR) has proven to be an excellent tool to probe the structure of molecules by gaining insight into nuclear interactions. Used in conjunction with theoretical calculations, NMR has the potential to elucidate these nuclear interactions and how they affect structure, bonding and dynamics on a molecular scale. The first two projects presented herein study the peroxide explosive hexamethylene triperoxide diamine (HMTD). In the first project, we use the characteristics of the solid-state NMR lineshape to determine the 14N quadrupole coupling constant (CQ). The second project uses multi-dimensional solution-state NMR and chiral shift reagents …
Experimental And Theoretical Studies In Solid-State Nuclear Magnetic Resonance, Monica N. Kinde
Experimental And Theoretical Studies In Solid-State Nuclear Magnetic Resonance, Monica N. Kinde
Department of Chemistry: Dissertations, Theses, and Student Research
Solid-state nuclear magnetic resonance (SSNMR) has proven to be a powerful tool for probing molecular structure and dynamics. Deuterium SSNMR is particularly useful due to the presence of anisotropic interactions whose motional averaging contributes structural and dynamical insight. The magnitude and type of molecular motion can be determined from analysis of solid echo deuterium lineshapes and/or relaxation studies. This work uses various applications of solid-state NMR as well as ab initio and density functional computational methods to study three different areas of physical chemistry: biophysical chemistry, materials science and fundamental concepts of physical chemistry. The first project addressed the dynamics …