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Dissertations / Theses on the topic 'NMR spectra of liquids'

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Published: 4 June 2021

Last updated: 15 February 2022

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1

Friedrich, J. O. "Frequency and spatial selectivity in nuclear magnetic resonance spectroscopy." Thesis, University of Oxford, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.234964.

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2

Omnes, Laurent. "Towards the biaxial nematic phase via specific intermolecular interactions." Thesis, University of Exeter, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.368368.

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3

Schmid, Jean-Claude. "Marqueurs biologiques soufres dans les petroles." Université Louis Pasteur (Strasbourg) (1971-2008), 1986. http://www.theses.fr/1986STR13146.

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Identification et geochimie des marqueurs biologiques soufres dans deux petroles particulierement riches en soufre: petroles de marvejols, bassin d'alis france et de rozel point, utch, etats-unis. La diversite des composes organo-soufres et leur teneur dans les petroles indiquent que la formation de ces molecules se fait tres probablement par un processus non-biologique. L'incorporation de soufre dans la matiere organique sedimentaire se ferait principalement a un stade precoce de la maturation sur des molecules fonctionnalisees, notamment des alcenes

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4

Peiponen, K. E. (Kai-Erik). "Optical spectra analysis of turbid liquids." Doctoral thesis, University of Oulu, 2009. http://urn.fi/urn:isbn:9789514291685.

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Abstract This thesis is devoted to methods of analyzing optical spectra obtained from turbid liquids, i.e., liquids that are optically very thick and/or scatter light. Data for spectral analysis were obtained with a new, multifunction spectrophotometer developed for industrial liquid samples. One characteristic of the spectrophotometer is that spectral analysis methods can be implemented into the software. Here, the emphasis was on data inversion methods, particularly the Kramers-Kronig analysis and the maximum entropy method, which can be used to gain information on the wavelength-dependent c

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5

Bernhem, Kristoffer. "How ionic are ionic liquids?" Thesis, KTH, Skolan för kemivetenskap (CHE), 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-41033.

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Ionic liquids are continuously finding more and more applications, both in research and in the industry. Many attempts have been made to find parameters that could be used to describe all ionic liquid systems. Five years ago a Japanese group applied the work of Gutmann on ionic liquids to use ionic association to describe solvation effects. The group calculated ionic association from conductivity and diffusion measurements. This report presents a direct approach through electrophoretic NMR to measure ionic association in ionic liquids. The report contains a brief introduction to ionic liquids

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6

Giraud, Gerard. "Ultrafast vibrational dynamics in liquids and proteins." Thesis, University of Strathclyde, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.275153.

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7

Radhi, Asanah. "NMR studies of cellulose dissolution in ionic liquids." Thesis, University of Leeds, 2014. http://etheses.whiterose.ac.uk/7844/.

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This study examines the properties of ionic liquid and co-solvent mixtures, investigating fundamental aspect of cellulose dissolution in ionic liquids and developes a new technique to study the kinetics of cellulose coagulation. The first system that we studied is the mixture of 1-Ethyl-3-Methylimidazolium Acetate (EMIMAc) and Dimethyl Sulfoxide (DMSO). The motivation behind this study is that the use of DMSO as a co-solvent for cellulose dissolution in ionic liquid makes the cellulose processing more efficient and cost effective. Detailed studies of solutions are carried out to probe the macr

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8

Medford, Hannah T. Macdonald Jeffrey. "Colon cancer diagnosis using NMR spectra of urine." Chapel Hill, N.C. : University of North Carolina at Chapel Hill, 2006. http://dc.lib.unc.edu/u?/etd,284.

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Thesis (M.S.)--University of North Carolina at Chapel Hill, 2006.<br>Title from electronic title page (viewed Oct. 10, 2007). "... in partial fulfillment of the requirements for the degree of Master of Science in the Department of Biomedical Engineering." Discipline: Biomedical Engineering; Department/School: Medicine.

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9

Palfreyman, Stuart A. "Sonically induced narrowing of the NMR spectra of solids and other novel NMR techniques." Thesis, Aston University, 1996. http://publications.aston.ac.uk/9610/.

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A typical liquid state NMR spectrum is composed of a number of discrete absorptions which can be readily interpreted to yield detailed information about the chemical environment of the nuclei found within the sample. The same cannot be said about the spectra of solid samples. For these the absorptions are typically broad, featureless and yield little information directly. This situation may be further exacerbated by the characteristically long T1 values of nuclei bound within a solid lattice which, consequently, require long inter-sequence delays that necessitate lengthy experiments. This work

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10

Aujla, R. S. "Carbon-13 NMR spectra of solid dyestuffs and polymers." Thesis, University of East Anglia, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.304771.

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11

Wang, Shao-Pin. "Raman studies of reorientational dynamics in liquids." Thesis, University of North Texas, 1990. https://digital.library.unt.edu/ark:/67531/metadc332457/.

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Raman and/or infrared (IR) bandshape analysis to probe molecular dynamics in liquids has become a rapidly expanding field of study in recent years. Determination of spinning and tumbling diffusion constants, Dι and D⊥, which characterize the reorientation of symmetric-top moleclues has been successfully studied in a number of D6H and D3H molecules. For molecules of CV3 symmetry, however, previous attempts to extract spinning diffusion constants from Raman doubly degenerate vibrations (E mode) have proved unsuccessful. Presented here is a new methodology which resolves the problems encountered

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12

Allen, Stephen George. "The characterisation of pore morphology by NMR." Thesis, University of Kent, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.267501.

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13

Readshaw, S. A. "The conformational analysis of cyclic molecules by NMR spectroscopy." Thesis, University of Nottingham, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.378941.

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14

Rodriguez, Arturo A. (Arturo Angel). "Raman and NMR Relaxation Studies of Molecular Dynamics in Liquids." Thesis, North Texas State University, 1987. https://digital.library.unt.edu/ark:/67531/metadc330818/.

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Raman vibrational bands are sensitive to fluctuations in the molecular environment. Variations in the bandwidth and peak position can then be utilized to monitor molecular forces and interactions present in condense phases. Nuclear Magnetic Resonance (NMR) provides a convenient probe for the study of molecular reorientation in liquids since nuclear spin relaxation times are dependent on the details of molecular motion. Presented here is the solvent study of the Raman bandwidths and frequency displacements of the mode of the compounds CH3MCI3 (M = C, Si, Ge, Sn) in a number of solvents of wi

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15

Doyle, Victoria Louise. "Quantification of localised in vivo magnetic resonance spectra." Thesis, Imperial College London, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.268054.

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16

Howarth, M. A. "Methods for the interpretation of proton NMR spectra of proteins." Thesis, University of Oxford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376918.

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17

Veselkov, Kirill. "Computational approaches to improve information recovery from biological NMR spectra." Thesis, Imperial College London, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.502905.

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18

Adams, Krysten Scott. "Using computational methods to predict NMR spectra for polyether compounds /." Electronic version (PDF), 2005. http://dl.uncw.edu/etd/2005/adamsk/krystenadams.pdf.

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19

Ailey, Bartlet Gilbert. "The assignment of protein NMR spectra using a genetic algorithm." Thesis, University of Leicester, 1997. http://hdl.handle.net/2381/29635.

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NMR spectroscopy is one of the two methods for determining the structures of proteins. The production of a structure using NMR has a number of phases; with the assignment phase being one of the most time consuming. Any automation, even partial, of the assignment process would be of enormous benefit. This thesis describes five modules (2D-SAM, 3D-SAM, BAM-1, BAM-2 and SCAM) that use a genetic algorithm (GA) to assign protein NMR spectra. The 2D-SAM and 3D-SAM are Sequential Assignment Modules. They take the relevant spin system identification and sequentially assign either 2 dimensional homonuc

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20

Portieri, Alessia. "Solid state NMR of sulfa-drugs." Thesis, Durham University, 2001. http://etheses.dur.ac.uk/3781/.

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This work has been a study of systems, mostly of sulfa-drugs, showing polymorphic behaviour. Using different means as solid state NMR, X-ray analysis, and theoretical calculations, we have seen how it is possible to understand results obtained from the different techniques, proving how the study of polymorphic systems needs cooperative advice from the different techniques that are able to detect polymorphic differences. Within the sulfa-drugs I have been mostly concentrating on sulfanilamide, studying (^13)C and (^15)N solid state NMR spectra of the different polymorphs. The NMR parameters tha

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21

Benmansour, Hadjar. "Palladium catalysed reactions of halogenated heterocycles." Thesis, Durham University, 2001. http://etheses.dur.ac.uk/4948/.

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1- The synthesis of unusually substituted halo-fluoroheterocycles has been achieved. 2,4,6-Tribromo-3,5-difluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine were prepared from pentafluoropyridine, aluminium bromide and hydrogen bromide Reactions with lithium halides allowed the preparation of 4-iodo-2,3,5,6- tetrafluoropyridine, 4-iodo-2,6-dibromo-3,5-difluoropyridine, 4-iodo-2,3,5,6- tetrafluoropyridine and 4-chloro-2,6-dibromo-3,5-difluoropyridine.2- Reactions of 2,4,6-tribromo-3, 5-difluoropyridine with nucleophiles showed that selective substitution at the C-F centre can be achieved us

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22

Digby, Megan Elizabeth. "Broadband DC SQUID NMR spectrometry on metals." Thesis, Royal Holloway, University of London, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.322702.

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This Thesis describes the development of a broadband pulsed NMR spectrometer, based on a sensitive DC SQUID amplifier with wideband electronics, to observe directly the free precession of nuclear spins in bulk metallic samples (with broad NMR linewidths) at Larmor frequencies cß/2 ,r below 1 MHz. The sample is located inside a pickup coil, which forms a superconducting flux transformer with the input coil of the SQUID. The SQUID amplifier operates in a flux-locked-loop (FLL), hence it is sensitive to signals from DC up to the bandwidth of the FLL electronics. A modified commercial DC SQUID amp

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23

Wang, Kuen-Shian. "FT-NMR and Raman Spectroscopic Studies of Molecular Dynamics in Liquids." Thesis, University of North Texas, 1993. https://digital.library.unt.edu/ark:/67531/metadc277788/.

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NMR relaxation and Raman lineshape analysis are well known methods for the study of molecular reorientational dynamics in liquids. The combination of these two methods provides another approach to tackle the characterization of molecular dynamics in liquids. Investigations presented here include (1) NMR relaxation study of polycyclic compounds in solution, (2) the study of nitromethane reorientational dynamics using the NMR and Raman methods, and (3) Raman lineshape analysis of reorientation hexafluorobenzene/benzene mixtures.

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24

Romanova, Ekaterina, Bärbel C. Krause, Alexander Stepanov, et al. "1 H NMR signal broadening in spectra of MFI type zeolites." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-194086.

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25

Huang, Yuanyuan. "Effects of molecular motion on deuteron magic angle spinning NMR spectra." W&M ScholarWorks, 2007. https://scholarworks.wm.edu/etd/1539623519.

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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 o

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26

Bruce, Stephen Derek. "Accurate quantification of the proton NMR spectra of human brain metabolites." Thesis, Edinburgh Napier University, 2002. http://researchrepository.napier.ac.uk/Output/5731.

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Magnetic Resonance Spectroscopy (MRS) can give chemically specific information about biological tissue and has become an active area of research in human metabolism in health and disease. In particular, the (1)H MKS modality is suited to studies of the brain, and the commonly studied metabolites that have important biochemical roles are choline, creative and N-acetyl aspartate (NAA). The success of MRS as a medical diagnostic tool depends heavily on accurate quantification of the data by computer analysis, in order to determine frequencies for the identification of metabolites and peak areas t

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27

Romanova, Ekaterina, Bärbel C. Krause, Alexander Stepanov, et al. "1 H NMR signal broadening in spectra of MFI type zeolites." Diffusion fundamentals 6 (2007) 68, S. 1-2, 2007. https://ul.qucosa.de/id/qucosa%3A14248.

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28

Li, Lilong Wu Yue. "Dynamics and structure in metallic supercooled liquids and glasses studied by NMR." Chapel Hill, N.C. : University of North Carolina at Chapel Hill, 2005. http://dc.lib.unc.edu/u?/etd,335.

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Thesis (Ph. D.)--University of North Carolina at Chapel Hill, 2006.<br>Title from electronic title page (viewed Oct. 10, 2007). "... in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Curriculum in Applied and Materials Sciences." Discipline: Applied and Materials Sciences; Department/School: Applied and Materials Sciences.

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29

Yuan, Peng. "Raman and NMR Investigation of Molecular Reorientation and Internal Rotation in Liquids." Thesis, University of North Texas, 1991. https://digital.library.unt.edu/ark:/67531/metadc278558/.

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Molecular rotational motions are known to influence both Raman scattering of light and nuclear spin relaxation. Therefore, the application of Raman bandshape analysis and NMR relaxation time measurements to probe molecular dynamics in liquids will provide us with a deeper understanding of the dynamical behavior and structure of molecules in the liquid phase. Presented here are (i) studies of molecular reorientation of acetonitrile in the neat liquid phase and in solution by Raman bandshape analysis and NMR relaxation; (ii) studies of reorientational dynamics and internal rotation in transitio

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30

Chen, Jen Hui. "Molecular Dynamics and Interactions in Liquids." Thesis, North Texas State University, 1985. https://digital.library.unt.edu/ark:/67531/metadc331452/.

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Various modern spectroscopies have been utilized with considerable success in recent years to probe the dynamics of vibrational and reorientational relaxation of molecules in condensed phases. We have studied the temperature dependence of the polarized and depolarized Raman spectra of various modes in the following dihalomethanes: dibromomethane, dichloromethane, dichloromethane-d2, and bromochloromethane. Among other observed trends, we have found the following: Vibrational dephasing times calculated from the bend) and (C-Br stretch) lineshapes are of the same magnitude in CI^B^. The vibratio

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31

Robertson, James P. "Automated strategies for the assignment of the NMR spectra of homologous proteins." Thesis, University of Oxford, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.357599.

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32

Hughes, Colan Evan. "New techniques in NMR spectroscopy." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.297524.

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33

Chakraborty, Saswata. "Mechanistic Study of Photo-bis-Decarbonylation of Alpha-Diketones." Bowling Green State University / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1277056870.

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34

Juenemann, Jessica C. "UV-VIS and NMR spectroscopic studies of a palladium macroscopic square complex." Virtual Press, 2003. http://liblink.bsu.edu/uhtbin/catkey/1273267.

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35

Skrynnikov, Nikolai R. "Effects of multispin modes in intermolecular NMR relaxation and chemical exchange in liquids." Thesis, McGill University, 1996. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=34458.

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While effects of multispin modes have proven to be of utmost importance in Nuclear Magnetic Resonance spectroscopy, their roles in two intimately related fields--chemical exchange and intermolecular spin relaxation--have not been adequately explored. In a bid to improve theoretical understanding, this work presents the generalized symmetry-adapted form of the exchange superoperator, which allows for proof of the macroscopic symmetry principle. The results obtained for an $A sb2$-AB type exchange are used to explain the presence of paradoxical symmetry-forbidden signals in the spectra of parahy

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36

Skrynnikov, Nikolai R. "Effects of multispin modes in intermolecular NMR relaxation and chemical exchange in liquids." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0013/NQ30389.pdf.

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37

Harvey, Pierre Dominique. "Applications of vibrational spectroscopy and NMR spin-lattice relaxation time measurements to organometallic and organic molecular crystals." Thesis, McGill University, 1985. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=73986.

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38

Knight, Cheryl Lynn. "Application of IR and NMR spectroscopy to certain complexes of 8-hydroxyquinoline and 8-aminoquinoline." Master's thesis, University of Cape Town, 1987. http://hdl.handle.net/11427/22001.

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The IR spectra of twenty-one transition metal complexes of 8-hydroxyquinoline over the range 700 - 50 cm⁻¹ are discussed in relation to their known or inferred structures. The complexes are of three types: (a) the bis(aquo) complexes of the first row transition metal(II) ions, [M(ox)₂(H₂O)₂] (M =Mn, Fe, Co, Ni, Cu, Zn); (b) the corresponding anhydrous complexes, [M(ox)₂]n (M=Mn, Co, Ni, Cu, Zn) and (c) the complexes of the metal(III) ions, [M(ox)₃] (M = Sc, V, Cr, Mn, Fe, Co, Ga, Rh and In). Deuterated 8-hydroxyquinoline was. synthesized by the Skraup synthesis and has been used to assist in t

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39

Conroy, Matthew James. "NMR studies of bacterial light-harvesting complexes." Thesis, University of Sheffield, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.298888.

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40

Dutta, Sujeet. "Adsorption and imbibition of binary liquids in nanoporous solids." Thesis, Rennes 1, 2016. http://www.theses.fr/2016REN1S129/document.

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Les mélanges de toluène et de tert-butanol sont complètement miscibles dans toutes les compositions à l'échelle macroscopique. Toutefois tert-butanol forme un réseau de liaisons hydrogène à l'échelle nanométrique qui persistent même dans les mélanges liquides binaires tert-butanol/toluène. Des expériences de diffusion de neutrons ont révélé la séparation des phases du mélange dans une structure cœur-gaine sous confinement dans des solides nanoporeux hydrophiles. Le travail effectué dans cette thèse vise à comprendre le rôle joué par la concurrence des interactions intermoléculaires (liaisons h

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41

Heindrichs, Axel Stefan Dirk. "New methodologies in solid state NMR." Thesis, University of Nottingham, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.342111.

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42

Michez, Roman. "Contribution to the Electroreduction of CO2 in Ionic Liquids." Doctoral thesis, Universite Libre de Bruxelles, 2018. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/268218.

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Afin de s’affranchir de contraintes liées à l’utilisation de milieux conventionnels, l’électroreduction du CO2 a été étudiée en milieux liquides ioniques. L’activité de l’interface électrode - électrolyte a été examinée par techniques électrochimiques et les produits de réactions formés après électrolyses sous contrôle potentiostatique, ont été analysés par techniques chromatographiques et spectroscopie RMN. L’ensemble des informations obtenu lors de ces analyses a permis de contribuer à une meilleure compréhension des mécanismes réactionnels de l’électroréduction du CO2 en milieux liquides io

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43

Webber, John Beau W. "Accessible catalyst pore volumes, for water and organic liquids, as probed by NMR cryoporometry." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-179253.

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Chemical reaction speed is frequently enhanced at a surface, particularly when materials like platinum are present. It is well known that porous materials such as sol-gel silicas, controlled pore glasses, templated porous materials such as SBA-15, MCM-41, MCM-48, and zeolites, offer large surface areas. This in turn makes them ideal for catalysing chemical reactions. Thus an important use for porous materials is as a substrate and media to promote chemical reactions. However small pores are not always easily accessed by some of the organic liquids in which these catalytic reactions ideal

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44

Webber, John Beau W. "Accessible catalyst pore volumes, for water and organic liquids, as probed by NMR cryoporometry." Diffusion fundamentals 22 (2014) 13, S. 1-8, 2014. https://ul.qucosa.de/id/qucosa%3A13519.

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Chemical reaction speed is frequently enhanced at a surface, particularly when materials like platinum are present. It is well known that porous materials such as sol-gel silicas, controlled pore glasses, templated porous materials such as SBA-15, MCM-41, MCM-48, and zeolites, offer large surface areas. This in turn makes them ideal for catalysing chemical reactions. Thus an important use for porous materials is as a substrate and media to promote chemical reactions. However small pores are not always easily accessed by some of the organic liquids in which these catalytic reactions ideal

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45

Galius, Veniamin. "Automated assignment of amide resonances in NMR spectra of proteins with known crystal structure /." [S.l.] : [s.n.], 2008. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=18043.

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46

Stoyanova, Radka. "Development and application of methods for enhancing features in NMR spectra for pattern recognition." Thesis, Imperial College London, 2005. http://hdl.handle.net/10044/1/8269.

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47

Le-That, Tran-Trung. "Switchable ionic liquids for biomass treatment : Investigation of structural changes in sodium lignosulfonate by 2D-NMR spectroscopy after treatment with switchable ionic liquids." Thesis, Umeå universitet, Kemiska institutionen, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-123118.

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48

Joshi, Manishkumar Dilipkumar. "Synthesis of New Classes of Ionic Liquids and Polymeric Ionic Liquids and their Applications in Microextraction Techniques." University of Toledo / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1372871956.

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49

Mehridehnavi, Alireza. "Variable selection in neural networks for the classification of tumour tissue from '1H NMR spectra." Thesis, University of Liverpool, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.263843.

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50

Gérard, Hervé. "Simulation de spectres de résonance magnétique nucléaire de cristaux liquides, polymères cristaux liquides et polymères conventionnels." Grenoble 1, 1993. http://www.theses.fr/1993GRE10144.

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Le but de cette etude est la simulation et l'exploitation de spectres de rmn de cristaux liquides nematiques et de polymeres. Les formes de raie rmn sont analysees grace a deux modeles complementaires, le premier (modele a conformation unique) decrivant la contribution purement moleculaire (geometrie et mouvements internes a la molecule), le second la contribution des mouvements collectifs (modes visco-elastiques). Des rappels sur la methode rmn et la notion d'ordre orientationnel au sein de la phase nematique sont fournis dans la premiere partie ou sont egalement decrits ces deux modeles. Dan

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