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Approaches to intermolecular structure elucidation utilizing NMR and DNP parameters

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dc.contributor.authorTsiao, Candyen
dc.contributor.committeechairDorn, Harry C.en
dc.contributor.committeememberHudlicky, Milosen
dc.contributor.committeememberBell, Harold M.en
dc.contributor.committeememberHanson, Brian E.en
dc.contributor.committeememberKingston, David G. I.en
dc.contributor.departmentChemistryen
dc.date.accessioned2015-07-10T20:00:06Zen
dc.date.available2015-07-10T20:00:06Zen
dc.date.issued1989en
dc.description.abstractThis thesis is divided into two parts. The first part involves the study of molecular structure utilizing Ianthanide induced shift (LIS) and lanthanide induced relaxation (LIR) nuclear magnetic resonance (NMR). It the course of these studies, it was found that the trifluoroethoxy group is a good deactivating group towards lanthanide shift reagents (LSR) and can be used to selectively deactivate multifunctional molecules. The second part of the thesis involves the utilization of liquid-liquid intermolecular transfer (LLIT) dynamic nuclear polarization (DNP) to study the microwave power needed to achieve saturation using deuterated and nondeuterated 2,4,6-tri-tert-butylphenoxy and galvinoxyl radicals, and ¹⁴N labelled, nondeuterated and ¹⁴N labelled, deuterated 4-hydroxy-TEMPO radicals. Also, selective ¹H DNP enhancements for taxol in solid-liquid intermolecular transfer (SLIT) DNP low-to-high field transfer experiments were obtained. Finally, the syntheses of compounds with both a LSR moiety and a nitroxide radical moiety in the same molecule were examined. LLIT DNP transfer experiments for the intramolecular LSR-nitroxide radicals molecular system and the intermolecular LSR—radicals systems were studied. Conclusions based on this study provide new insight regarding approaches for new LIS and DNP studies.en
dc.description.degreePh. D.en
dc.format.extentix, 162 leavesen
dc.format.mimetypeapplication/pdfen
dc.identifier.urihttp://hdl.handle.net/10919/54441en
dc.language.isoen_USen
dc.publisherVirginia Polytechnic Institute and State Universityen
dc.relation.isformatofOCLC# 22251402en
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subject.lccLD5655.V856 1989.T746en
dc.subject.lcshMolecular structure -- Researchen
dc.titleApproaches to intermolecular structure elucidation utilizing NMR and DNP parametersen
dc.typeDissertationen
dc.type.dcmitypeTexten
thesis.degree.disciplineChemistryen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.leveldoctoralen
thesis.degree.namePh. D.en

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