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Dissertations / Theses on the topic 'Solid state Sn NMR'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Sneddon, Scott. "Characterisation of inorganic materials using solid-state NMR spectroscopy." Thesis, University of St Andrews, 2016. http://hdl.handle.net/10023/8239.

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This thesis uses solid-state nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) calculations to study local structure and disorder in inorganic materials. Initial work concerns microporous aluminophosphate frameworks, where the importance of semi-empirical dispersion correction (SEDC) schemes in structural optimisation using DFT is evaluated. These schemes provide structures in better agreement with experimental diffraction measurements, but very similar NMR parameters are obtained for any structures where the atomic coordinates are optimised, owing to the simila

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2

Tarhouchi, Ilyas. "Etude des phases Li10MP2S12 (M=Sn, Si) comme électrolyte pour batteries tout-solide massives." Thesis, Bordeaux, 2015. http://www.theses.fr/2015BORD0220/document.

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En remplaçant l’électrolyte liquide par un solide, les batteries tout-solide massivessont souvent considérées comme une solution aux problèmes de sécurité desbatteries Li-ion actuelles. La récente découverte du matériau Li10GeP2S12 destructure dite LGPS présentant une conductivité ionique équivalente à celles desélectrolytes liquides a réactivé ce domaine de recherche.Dans cette optique, nous avons étudié les matériaux Li10MP2S12 (M=Sn, Si) destructure LGPS, au moyen de diverses caractérisations structurales (DRX,RMN du 31P, spectroscopie Mössbauer …), de propriétés de mobilité/conductionioniq

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3

Heitjans, Paul, Sylvio Indris, and Martin Wilkening. "Solid-state diffusion and NMR." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-195770.

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Diffusion in solids, which requires the presence of crystal defects or disorder, has both microscopic and macroscopic aspects. Nuclear magnetic resonance techniques provide access to microscopic diffusion parameters like atomic jump rates and activation energies as well as to the tracer diffusion coefficient for macroscopic transport. Microscopic NMR methods include spin-lattice relaxation spectroscopy of stable and beta-radioactive nuclei, spin-spin relaxation or linewidth and spin alignment decay measurements, whereas macroscopic NMR methods are represented by the techniques of static and pu

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4

Heitjans, Paul, Sylvio Indris, and Martin Wilkening. "Solid-state diffusion and NMR." Diffusion fundamentals 2 (2005) 45, S. 1-20, 2005. https://ul.qucosa.de/id/qucosa%3A14378.

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Diffusion in solids, which requires the presence of crystal defects or disorder, has both microscopic and macroscopic aspects. Nuclear magnetic resonance techniques provide access to microscopic diffusion parameters like atomic jump rates and activation energies as well as to the tracer diffusion coefficient for macroscopic transport. Microscopic NMR methods include spin-lattice relaxation spectroscopy of stable and beta-radioactive nuclei, spin-spin relaxation or linewidth and spin alignment decay measurements, whereas macroscopic NMR methods are represented by the techniques of static and pu

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5

Kirby, Christopher William. "Solid-state NMR studies of cobalamins." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2001. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/NQ60546.pdf.

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6

Jackson, P. "Dipolar coupling in solid-state NMR." Thesis, Durham University, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.379058.

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7

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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8

Crockford, Charles. "New methodologies in solid state NMR." Thesis, University of Nottingham, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.289481.

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9

Stein, Robin Stephanie. "Structural studies using solid-state NMR." Thesis, University of Cambridge, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.612912.

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10

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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11

Likovec, Wayne Robert. "Solid state NMR studies of elastomers." Case Western Reserve University School of Graduate Studies / OhioLINK, 1995. http://rave.ohiolink.edu/etdc/view?acc_num=case1058875640.

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12

Bennett, David Alexander. "Structural methods in solid-state NMR." Thesis, University of Nottingham, 2013. http://eprints.nottingham.ac.uk/13242/.

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New solid-state NMR experiments for measuring internuclear distances are designed using symmetry principles. The “recoupling” sequences described here are intended to reintroduce the MAS-averaged heteronuclear dipole-dipole coupling between a spin-1/2 nucleus (e.g. 1H) and a half-integer quadrupolar nucleus (e.g. 17O, I = 5/2). The magnitude of the dipolar interaction depends on the separation between the coupled nuclei, so the evolution of the spin system under the recoupled Hamiltonian can be used to measure the internuclear distance. Simulations of the spin dynamics are used initially to se

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13

Louie, Elizabeth April. "Solid-State NMR : investigations of biomolecular structure /." Thesis, Connect to this title online; UW restricted, 2005. http://hdl.handle.net/1773/8488.

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14

Saalwächter, Kay. "Heteronuclear recoupling methods in solid state NMR." [S.l. : s.n.], 2000. http://ArchiMeD.uni-mainz.de/pub/2000/0070/diss.pdf.

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15

Buda, Alina Reghina. "Solid state NMR for advanced materials characterization." kostenfrei, 2004. http://deposit.ddb.de/cgi-bin/dokserv?idn=972085459.

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16

Castro, Vasco. "Solid-state NMR characterization of lipid membranes /." Stockholm : Department of Physical, Inorganic and Structural Chemistry, Stockholm university, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-7681.

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17

Barras, Jamie. "Solid-State NMR studies of inorganic materials." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.339770.

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18

Parkinson, Matthew John. "Supramolecular interactions investigated by solid-state NMR." Thesis, Imperial College London, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.429310.

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19

Brough, Adrian R. "Solid state NMR studies of inorganic materials." Thesis, University of Oxford, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.239312.

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20

MariÌn, Montesinos Ildefonso. "New recoupling techniques in solid-state NMR." Thesis, University of Southampton, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.438729.

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21

Jolly, Michael Matthew. "Method development in biological solid-state NMR." Thesis, University of Southampton, 2017. https://eprints.soton.ac.uk/422129/.

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Solid-state nuclear magnetic resonance (ssNMR) has proved to be a useful tool in the analysis of structural and dynamic properties of proteins. However, the inherent low sensitivity of NMR hinders further advancements of the field. This thesis focuses on improving the sensitivity of ssNMR, be this through an improvement in signal to noise or an effective improvement in sensitivity by enhancing the information content. The mixed rotational and rotary resonance (MIRROR) sequence1 was employed to facilitate protein backbone assignment under moderate spinning speeds. Through the band selective nat

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22

McDougal, Nicola. "Solid-state NMR studies of structural proteins." Thesis, University of Cambridge, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.619667.

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23

Nordon, Alison. "Solid-state NMR studies of inclusion compounds." Thesis, Durham University, 1997. http://etheses.dur.ac.uk/4758/.

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The work contained within this thesis is a study of inclusion compounds using solid-state NMR. Such compounds typically exhibit static and/or dynamic disorder, which precludes the use of diffraction-based techniques to obtain detailed structural information. Hence, due to its ability to probe local environments, solid- state NMR can be used to provide information which would otherwise be inaccessible. However, the dynamic nature of the guest molecules within inclusion compounds can yield unusual results for routinely applied experiments, such as cross polarisation, heteronuclear dipolar decoup

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24

Avalle, Paolo. "Solid state NMR of tin containing compounds." Thesis, Durham University, 2001. http://etheses.dur.ac.uk/4382/.

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A recent development in chemical research has been concerned with molecular assemblies, and all manner of structural aggregates, leading to the relatively new area of supramolecular chemistry. The systems under study are organometallic ion exchangers where the structural motif is [(Me(_3)Sn(^IV))(_4)M(^II)(CN)(_6)]=(_oo) (M=Fe, Ru, Os...). These 3D cyanides are not simply molecular crystals, and their chemistry and topology are more reminiscent of inorganic solids. By replacing the bridging unit (Me(_3)Sn(^IV)) with guests such as (nPr)(_4)N(^+) and (nBu)(_4)N(^+), new 3D structures can be eng

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25

Goddard, Yanina Anatolievna. "Solid state NMR characterization of conductive polyanilines." W&M ScholarWorks, 2004. https://scholarworks.wm.edu/etd/1539623435.

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Different forms of ring deuterated polyaniline with different conductivity have been characterized by solid state deuteron nuclear magnetic resonance.;Quadrupole echo (QE) spectra of all forms of polyaniline consist of a superposition of lineshapes for nearly rigid aromatic rings and a small fraction of rings which undergo fast 180?? flips. The intensity of the fast flipping component is temperature dependent and different for conductive emeraldine salt (ES) and non-conductive emeraldine base (EB). This is a manifestation of the different structure and morphology of these polymers.;Simultaneou

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26

Laage, Ségolène. "High-resolution solid-state NMR for proteins." Lyon, Ecole normale supérieure, 2010. http://www.theses.fr/2010ENSL0583.

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La RMN a récemment prouvé son potentiel en biologie structurale. Cette thèse décrit les méthodes que nous avons développées pour l’étude de protéines par RMN du solide à haute résolution. Après une présentation des récents progrès du domaine, nous présentons les améliorations liées à l’utilisation de la rotation à l’angle magique à très haute vitesse, notamment les techniques de découplage hétéronucléaire et de polarisation croisée à basse puissance, appliquées aux cas de la Superoxide Dismutase (SOD) et de la protéine GB1. Nous détaillons ensuite les perspectives émergeant dans l’utilisation

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27

Ferrara, Chiara. "Solid State NMR studies of functional oxides." Phd thesis, Ecole normale supérieure de lyon - ENS LYON, 2014. http://tel.archives-ouvertes.fr/tel-00956577.

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The functional oxides are performing materials showing interestant properties. The study of the local environment respect to the average struvture is essential for the deep understanding of the correlations between structure and properties ; this investigation of short and medium range can be performed with the use of solid state NMR techniques. In particular in this thesis three different classes of materials for applications in fields of optic and energy are considered : perovskite structure LaSrAlO4, the melilite system LaSr(Ga/Al)3O7 and the family of orthosylicates Li2(Fe/Mn)SiO4.

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28

Brown, Marco J. "Selective inversion in solid-state deuteron NMR." W&M ScholarWorks, 1996. https://scholarworks.wm.edu/etd/1539623900.

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Deuteron NMR selective inversion (SI) is developed to study slow molecular motions in solids. Theoretical and practical aspects of selective inversion of spin-1 nuclei in solids are presented. Differences between powdered solids and liquids are considered. Double sideband modulated (DSBM) shaped pulses are shown to improve the performance of SI pulses. DSBM and DANTE selective pulses are compared for off-resonance SI applications. Common spin-{dollar}{lcub}1{rcub}\over{lcub}2{rcub}{dollar} shaped pulses are tested for suitability to solid state deuteron NMR. Simple, short pulses are shown to b

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29

Blackband, S. J. "NMR imaging of liquid-solid systems." Thesis, University of Nottingham, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.356019.

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30

Iuga, Adriana. "Solid-state 31P NMR of nucleotide binding proteins." [S.l. : s.n.], 2004. http://deposit.ddb.de/cgi-bin/dokserv?idn=973225238.

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31

Lim, Tang Kuan. "NMR studies of carbohydrates in the solid state." Thesis, University of British Columbia, 1985. http://hdl.handle.net/2429/27129.

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The work described herein entails the application of solid-state n.m.r. methods to both mono- and polysaccharide carbohydrates. Two major n.m.r. methods have been evaluated for studying these substances, namely, the carbon-13 cross-polarization-magic angle spinning method and the deuterium quadrupole echo method. Heptakis-(2,6-di-O-methyl)- β-cyclodextrin and β-cyclodextrin peracetate were prepared and, together with α-and β-cyclodextrins as hosts, were used to encage a variety of organic guest molecules. A number of metal sugar conjugates were prepared according to the procedures documented

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32

Feng, Xiaolong. "Estimating molecular conformations by solid-state NMR spectroscopy /." Stockholm : Eigenverl, 1998. http://www.gbv.de/dms/goettingen/265942721.pdf.

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33

Simpson, W. Mark. "Solid state NMR studies of molecular crystalline materials." Thesis, University of Oxford, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.362006.

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34

Ball, Thomas James. "Development of new methods in solid-state NMR." Thesis, University of Glasgow, 2008. http://theses.gla.ac.uk/385/.

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Many chemically important nuclei are quadrupolar with half-integer spin (i.e., spin I = 1.5, 2.5, etc.) The presence of quadrupolar broadening for such nuclei can limit the information that may be extracted using NMR. MAS is able to remove first-order quadrupolar broadening but can only reduce the second-order contribution to the linewidth. The MQMAS and STMAS techniques have enabled high-resolution NMR spectra of half-integer quadrupolar nuclei in the solid state to be obtained by two-dimensional correlation under MAS conditions. Both of these experiments have several well-known limitations.

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35

Orr, Simon Timothy. "Multinuclear solid-state NMR of fuel cell materials." Thesis, University of Warwick, 2010. http://wrap.warwick.ac.uk/35532/.

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This thesis describes the application of multinuclear solid-state NMR to three materials systems: first, components of polymer-based proton-exchange fuel cells including the fluoropolymer membranes (Chapter 4) and the precious metal supported catalysts (Chapter 5); secondly, the formation of a complex bismuth niobium aluminoborosilicate glass-ceramic with novel dielectric properties (Chapter 6); finally, platinum (II) dialkyldithiophosphates which belong to a class of compounds (metal dialkyldithiophosphates) some of which are used in mineral separation processing (Chapter 7). A full investiga

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36

Bhattacharya, Prodipta. "Solid state NMR studies of ferroelectric relaxor materials." Thesis, University of Warwick, 2005. http://wrap.warwick.ac.uk/66666/.

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Multi-nuclear solid state nuclear magnetic resonance has been used to investigate the local atomic structure of the relaxor ferroelectric materials, lead magnesium niobate titanate (PMN-PT) and sodium potassium bismuth titanate (NKBT). In addition to these two series of materials, numerous precursor and model niobate compounds have also been analysed in order to gain a insight into the structures and phases present in these materials. The PMN-PT series was investigated using 93Nb, 207Pb and 170 NMR techniques. A total of 14 PMN-PT samples, from pure PMN to PMN-90PT, were investigated in order

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37

Christopher, Elizabeth Anne. "Solid-state NMR study of polymorphism in pharmaceuticals." Thesis, Durham University, 1993. http://etheses.dur.ac.uk/5752/.

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This thesis is concerned with attempts to establish solid-state NMR as a complementary technique to X-ray crystallography for providing information on crystal structure, i.e. information regarding conformation, packing and inter- or intra-molecular interactions. Methods of assigning the solid-state NMR spectrum have been used which rely upon (^1)H-(^13)C dipolar interactions and upon the shielding anisotropy experienced by the nuclei. Single pulse experiments have also been used to identify solvate molecules. Of particular importance, the anisotropy and asymmetry have been found for a number o

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38

Gomez, Ruben. "Solid-state NMR studies of lithium nitrido-metallates." Thesis, University of Nottingham, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.430515.

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39

Oliver, Sarah Louise. "Solid-state NMR studies of compatibilised polymer blends." Thesis, University of Nottingham, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.285638.

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40

Ibbett, D. A. "A developmental system for solid state NMR imaging." Thesis, University of Kent, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.380989.

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41

Martin, David Richard. "Solid state deuterium NMR studies of some disaccharides." Thesis, University of York, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.282274.

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42

Cheng, Chi-Feng. "Solid-state NMR studies of mesoporous molecular sieves." Thesis, University of Cambridge, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243004.

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43

Vlachou, Maria C. "17O solid state NMR study of ceria systems." Thesis, University of Warwick, 2017. http://wrap.warwick.ac.uk/108288/.

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Ceria is a highly commercial, valuable material. Its diverse set of real-world applications demonstrates its far-reaching influence on modern society. Indeed, one only has to consider its extensive employment as an essential component of automotive, three-way catalysis (TWC) for reducing pollutants in vehicular exhaust gases; a technology that is used on a daily basis by millions of people, to appreciate its importance. Its popularity is partially due to its extraordinary oxygen storage capacity, i.e. its ability to release and store oxygen through redox reactions mediated by the two oxidation

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44

Lansing, Jonathan C. (Jonathan Clifford) 1974. "Solid-state NMR investigations of the bacteriorhodopsin photocycle." Thesis, Massachusetts Institute of Technology, 2002. http://hdl.handle.net/1721.1/8050.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2002.<br>Vita.<br>Includes bibliographical references.<br>Bacteriorhodopsin (bR) is a heptahelical integral membrane protein with a retinylidene prosthetic group from H. salinarum. The protein creates a proton gradient across the cell membrane by harvesting light energy. Proton transfer events can be segregated into transfers between the Schiff base of the chromophore and the cytoplasmic and extracellular half-channels. Critical to pump function is the switch in accessibility between the two half-channels. Models of th

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45

Wise, Erica Ruth. "Solid-state NMR studies of mineralised skeletal tissues." Thesis, University of Cambridge, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.611397.

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46

Orr, Robin Macnab. "Measuring anisotropic interactions using solid-state NMR spectroscopy." Thesis, University of Cambridge, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.612898.

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47

Benevelli, Francesca. "Solid-state NMR characterisation of non-covalent interactions." Thesis, University of Cambridge, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.620286.

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48

Smith, Deborah Jane. "Solid state NMR studies of transition metal compounds." Thesis, University of Oxford, 1986. http://ora.ox.ac.uk/objects/uuid:e2c88c27-a264-4325-8276-00bf305d0ded.

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This thesis is concerned with a systematic study of phosphine-containing transition metal complexes and cluster compounds by high resolution solid state nmr spectroscopy, using the techniques of magic angle spinning and cross polarisation. Previous work has indicated the potential of the solid state nmr technique to investigate a variety of materials: this is considered in the introduction to this thesis, and the reasons for choosing to study transition metal phosphine compounds are discussed. The analysis of spinning sidebands to obtain the principle values of the shielding tensor is examined

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49

Haies, Ibraheem. "New methods for nitrogen-14 solid state NMR." Thesis, University of Southampton, 2015. https://eprints.soton.ac.uk/382902/.

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Nitrogen is one of the most abundant elements. It plays a significant role in different scientific disciplines, like materials science, chemistry, biochemistry and pharmaceutical chemistry. Most NMR studies of nitrogen have been performed on samples enriched with 15N. To avoid enrichment and overcome the problem of using NMR where isotopic enrichment is not feasible, NMR of 14N that has 99.6% natural abundance is a viable alternative. However, the 14N spin quantum number 1 and high quadrupolar interactions lead to a few challenges for NMR investigation. Recently, two approaches appeared which

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50

Spano, Justin. "Solid-State NMR Studies of Polymeric and Biomembranes." Diss., Virginia Tech, 2011. http://hdl.handle.net/10919/27788.

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The objective of this dissertation is to demonstrate different applications of ssNMR, with particular emphasis on uses in polymeric and biosciences. First, dynamics investigations on two polymers will be discussed: (1) disulfonated poly(arylene ether sulfone)s /poly(ethylene glycol) blends (BPS-20_PEG), which are under development as chlorine-resistant reverse osmosis (RO) membrane alternatives to aromatic polyamide (PA) technology, and (2) poly(arylene ether sulfone)s modified with 1,4-cyclohexyl ring units to improve processability. Simple cross-polarization magic-angle-spinning (CPMAS) ex

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