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Relevant bibliographies by topics / Solid-state NMR study of pyrochlores

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Academic literature on the topic 'Solid-state NMR study of pyrochlores'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 February 2022

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Journal articles on the topic "Solid-state NMR study of pyrochlores"

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Grey, Clare P., Mark E. Smith, Anthony K. Cheetham, Christopher M. Dobson, and Ray Dupree. "Yttrium-89 magic angle spinning NMR study of rare-earth pyrochlores: paramagnetic shifts in the solid state." Journal of the American Chemical Society 112, no. 12 (June 1990): 4670–75. http://dx.doi.org/10.1021/ja00168a007.

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Nascimento, Alessandra M. R., Maria I. B. Tavares, and Raimundo Nascimento. "Solid State NMR Study ofCouma utilisSeeds." International Journal of Polymeric Materials 56, no. 4 (April 2007): 365–70. http://dx.doi.org/10.1080/00914030600873485.

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Yang, Kai-Jay, Su-Ching Lin, Shing-Jong Huang, Wei-Min Ching, Chen-Hsiung Hung, and Der-Lii M. Tzou. "Solid-state NMR study of fluorinated steroids." Steroids 80 (February 2014): 64–70. http://dx.doi.org/10.1016/j.steroids.2013.11.020.

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Clayden, N. J., A. Aronne, S. Esposito, and P. Pernice. "Solid state NMR study of phosphosilicate gels." Journal of Non-Crystalline Solids 345-346 (October 2004): 601–4. http://dx.doi.org/10.1016/j.jnoncrysol.2004.08.105.

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Tavares, Maria Iněs B., Carla R. De Araújo, and Cheila G. Mothé. "Solid State NMR Study of Natural Fibres." International Journal of Polymeric Materials 49, no. 2 (April 2001): 231–36. http://dx.doi.org/10.1080/00914030108033349.

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Hatakeyama, Moriaki, Takayoshi Hara, Nobuyuki Ichikuni, and Shogo Shimazu. "Multinuclear Solid-State NMR Study of Allophane." Bulletin of the Chemical Society of Japan 85, no. 3 (March 15, 2012): 372–75. http://dx.doi.org/10.1246/bcsj.20110293.

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Marcotte, Isabelle. "Solid-State NMR Study of Intact Microalgae." Biophysical Journal 108, no. 2 (January 2015): 44a. http://dx.doi.org/10.1016/j.bpj.2014.11.271.

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KAWAMURA, Izuru. "Solid-state NMR Structural Study of Membrane Proteins." Seibutsu Butsuri 56, no. 1 (2016): 036–39. http://dx.doi.org/10.2142/biophys.56.036.

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Gullion, John D., and Terry Gullion. "Solid-State NMR Study of the Cicada Wing." Journal of Physical Chemistry B 121, no. 32 (August 4, 2017): 7646–51. http://dx.doi.org/10.1021/acs.jpcb.7b05598.

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Karpukhina, Natalia, Robert V. Law, and Robert G. Hill. "Solid State NMR Study of Calcium Fluoroaluminosilicate Glasses." Advanced Materials Research 39-40 (April 2008): 25–30. http://dx.doi.org/10.4028/www.scientific.net/amr.39-40.25.

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Fluorine containing calcium aluminosilicate glasses are widely used for a number of technological applications including dental cements, mould fluxes in steel making and in a variety of glass-ceramic systems. Despite of their importance these systems remain quite poorly understood with respect to their composition. To address this question a glass composition corresponding to the equimolar binary system anorthite−fluorite (Ca2Al2Si2O8−CaF2) was chosen as a base point for two series of compositions. One of the series is designed on the anorthite stoichiometry and considered as classically charge balanced. Another series starts from the fluorine free composition of the anorthite−lime (Ca2Al2Si2O8−CaO) stoichiometry and, therefore, is characterized by a disrupted network with at least one non-bridging oxygen (NBO) attached to silicon. A multinuclear 19F, 27Al, 29Si solid state NMR study of the glasses was undertaken. It is shown that in both series fluorine is predominantly coordinated by calcium, F−Ca(n), and in addition interacts with aluminium forming Al−F−Ca(n) complexes, where n denotes the number of first neighbouring calcium cations. Small amounts of high coordinated aluminium grows with increasing fluoride content in both glass series. However, the high coordinated aluminium may not be solely due to the formation of the Al−F−Ca(n) complexes. Glasses of the first series displayed systematic upfield shift of 29Si NMR resonance while substituting fluoride for oxide, starting from the fluorine free composition. This upfield shift is interpreted as the lack of cations in the network, due to formation of the F−Ca(n), which drives silicon network to polymerize toward a higher Qn structure. Contrary to the first series, the 29Si NMR resonance remains constant for fluorine containing compositions of the second series but differs downfield from the initial anorthite glass. The latter is explained by the excess of cations in the network due to addition of the fluorite resulting in formation of NBO on the silicon. Binding of fluorine with silicon is considered negligible in these systems. Thus, fluorine and calcium both define the degree of network polymerization and are considered as a cause for the changes in silicon and aluminium networks.

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Dissertations / Theses on the topic "Solid-state NMR study of pyrochlores"

1

Grey, Clare P. "A '1'1'9Sn an '8'9Y MAS NMR or rare-earth pyrochlores." Thesis, University of Oxford, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.276535.

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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 of steroids, and the values used to assign the high frequency region of the spectrum. This has enabled chemical shifts to be linked to the hydrogen bonds that are present. Thus, the mode of hydrogen bonding can be predicted in forms of cortisone acetate for which the crystal structure is not available. Chemical shifts have also been linked with the conformation of the D ring. In this way, important crystallographic information has been gleaned from the solid-state NMR spectrum. The effect of the formation of hydrogen bonds upon the shielding tensor components of carbonyl and ester carbons has been studied, and found to cause a high frequency shift in δ22, which is probably oriented along the C=0 bonds. This leads to a high frequency shift in the isotropic chemical shift. The effect of the spinning speed upon the centreband intensity of a peak as the anisotropy and asymmetry are varied has been investigated. It has been found that at low spiiming speeds, the centreband intensity does not vary in a simple fashion. Thus it is recommended that full shielding tensor analysis is performed. The effect of the spinning speed on the sample temperature has also been studied. Results show that at low spinning speeds (up to 2 kHz) there is sample cooling as the spinning speed increases (attributed to the Joule -Thompson effect). But at higher spinning speeds (above 2 kHz) then there is sample heating as the spinning speed increases. The importance of this result is discussed. The effect of quadrupolar nuclei (35C1 and (^14)N) upon the spectrum of a spin-(^1)(_2) nucleus ((^13)C) has been studied. In favourable cases, the anisotropy in the spin-spin coupling constant has been found, whilst in other cases, the sign and magnitude of the quadrupolar coupling constant have been obtained. The broadening of resonances of carbon atoms adjacent to quadrupolar nuclei has been valuable in assigning the solid-state NMR spectra. The broadening effect has also been observed at more distant sites. It has not been possible to distinguish the effects of (^37)C1 and (^35)C1 on the carbon spectra of chlorine containing steroids.

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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 states of cerium (Ce3+/Ce4+). This unique ability can be heavily influenced by ceria’s particle size and shape, dopant concentration and surface chemistry, and is still a very active area of research today. Whilst there have been over 26,000 scientific publications on ceria since the 1950s, and although the bulk-ceria oxygen chemical shift (877 ppm) was first observed with 17O solid-state NMR in 1989, it is only within the past decade that solid-state NMR has been employed as a probe for ceria’s structure-function relationships. This study presents an extensive 17O solid-state NMR investigation into various ceria systems, in conjunction with complementary Raman spectroscopy (for which the literature is abundant). An alternative spectral assignment for the 17O NMR spectrum of nanoceria based on experimental deductions and DFT quantum mechanical calculations is proposed. The current working assignment for nanoceria is based on the work of Wang et al., where DFT calculations of a core-shell model are used to deconvolute the NMR data. In contrast to this model, it is suggested that the most upfield peak at δCG = 822 ppm (that is actually part of a multicomponent region centred at ~830 ppm), corresponds to oxygen species displaced from their standard sublattice positions, to occupy a Frenkel type defect site. The resonance regions observed at ~830 and 920 ppm are proposed to be bulk oxygen environments feeling the effects of the Frenkel defect and concomitant oxygen vacancy. For reduced ceria systems, a broad component is detected that spans > 1000 ppm, and is assigned to oxygen directly bonded to Ce3+, in agreement with the current working model. Finally, it is observed that the most deshielded peak at ~1030 ppm is multi-component and (one of these components) possesses an extensive spinning sideband manifold in comparison to the other 17O resonances. Variable temperature investigations show a small inverse temperature dependence of the peak positions, suggesting weak pseudocontact paramagnetic shifts are influencing the spectrum. In light of this, the peak at ~1030 ppm is assigned to oxygen in closer proximity to (but not directly bonded) to Ce3+, as is reported by current 27Al solid-state NMR studies of Ce3+ doped systems and as is reflected by the extensive sideband manifold. The novel 17O preparation treatments implemented in this work were engineered to probe oxygen environments near defects. Ceria’s defects are manipulated by exposure to certain temperature/atmospheric conditions, and when these replicate those of possible catalyst operating temperatures with 17O enriched gas, 17O is able to probe the distribution of oxygen in distinct sites that are important to the OSC process. A prereduction of ceria was therefore implemented, following 17O2 reoxidation to target these sites. This process was also able to identify a surface reorganization mechanism in which a low reoxidation temperature/ pressure of 17O2 is insufficient to reverse the onset of bulk oxygen diffusion induced by the reduction, an effect which is seen to be enhanced with the loading of Pd. Furthermore, the storage of these treated systems dictates the evolution of the 17O species, with an almost closed-system (to air) detecting the pathway of reoxidised oxygen species to more stable sites over time. Ceria zirconia systems are also investigated in this work. The 17O solid-state NMR spectra show an even greater sensitivity to the 17O2 enrichment conditions. The pre-reduction of the systems induces a greater oxygen removal compared to pure ceria, and thus an increase in Ce3+ paramagnetic centres, i.e. the broad component (> 1000 ppm) characterising the oxygen-Ce3+ bond reveals a greater relative intensity. The complication of increasing Ce3+ paramagnetic centres near the 17O adsorption sites is evidenced by the significant loss in 17O spectral resolution. These effects are exacerbated when ceria zirconia is supported with Pd, known to (stably) reduce the state of the system even further. A straight exchange of the 17O isotope in ceria zirconia helps to inhibit these effects, allowing observation of (1) the chemical shift of the bulk-ceria oxygen move to a more shielded position compared to the pure ceria material at 877 ppm (caused by the inherent contraction of the ceria zirconia lattice), and (2) a broad resonance at ~730 ppm, attributed to oxygen species bridging cerium and zirconium.

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Pawsey, Shane. "A solid-state NMR study of self-assembled monolayers /." Thesis, McGill University, 2003. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=83090.

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Hydrocarbon and perfluorinated fatty acids deposited on high surface area ZrO2 and TiO2 substrates have been studied by solid-state nuclear magnetic resonance (NMR) and infrared (IR) spectroscopy for characterization as potential surface modification agents and for fundamental studies of monolayer conformation and dynamics. Alkanoic acids of sufficient chain length (CH3(CH3)nCO2H, n > 15) were found to form conformationally ordered monolayers on ZrO2 powder via a chelating bidentate zirconium carboxylate surface bond. Variable temperature and 2D solid-state NMR experiments demonstrate that alkanoate monolayers display chain dynamics similar to other self-assembled monolayers (SAMs). o-Hydroxy-alkanoic acids (HO(CH3)15CO 2H) produce hydrophilic monolayers, with no evidence of the hydroxyl group looping to the metal oxide substrate.
Unlike the hydrocarbon analogues, perfluoroalkanoic acids chemisorbed on both ZrO2 and TiO2 powders via a carboxylate bond forming stable and thermally robust SAMs. Spin-lattice relaxation measurements showed that the adsorbed SAMs are more mobile than in the bulk state. The motions associated with this enhanced mobility are proposed to involve reorientations about the chain axis. No evidence was found for chain melting in the fluorocarbon SAMs at temperatures well above the melting point of the bulk acids.
Since both long chain carboxylic and phosphonic acids form SAMs, a series of diacids, (HO2C(CH2)nPO3H 2, n = 2, 3, 11, and 15), were deposited on TiO2 and ZrO 2 powders and ZrO2 nanopowder to examine the structures formed by bifunctional surfactants where both groups strongly interact with the substrate. Solid-state 31P NMR data in combination with IR showed that the phosphonic acid group binds selectively to the surface, producing a monolayer of carboxylic acid terminated chains. The average chain conformation depends on the substrate and chain length. Ordered samples display thermal order/disorder transitions similar to other hydrocarbon SAM systems demonstrating that phosphonic acids are useful for selectively introducing pendant polar functional groups on metal oxide surfaces. The chain mobility relative to analogous methyl terminated chains is more restricted and is attributed to hydrogen bonding among the pendant carboxylic acid groups. 1H fast MAS NMR experiments revealed the nature of the surface hydrogen bonding in these systems. Whereas dipolar coupled P-OH protons were observed on TiO2, only isolated residual P-OH groups were detected on ZrO2, reflective of the stronger interaction of phosphonic acids with the latter substrate. Two dimensional 1H double-quantum fast MAS experiments revealed that only hydrogen bonded homodimers occur in the bulk diacids while hydrogen bonding between the carboxylic and phosphonic acid groups exists in multilayers of the diacids on the ZrO2 nanopowder.

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Huster, Daniel. "Solid-state NMR spectroscopy to study protein-lipid interactions." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-190961.

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The appropriate lipid environment is crucial for the proper function of membrane proteins. There is a tremendous variety of lipid molecules in the membrane and so far it is often unclear which component of the lipid matrix is essential for the function of a respective protein. Lipid molecules and proteins mutually influence each other; parameters such as acyl chain order, membrane thickness, membrane elasticity, permeability, lipid-domain and annulus formation are strongly modulated by proteins. More recent data also indicates that the influence of proteins goes beyond a single annulus of next-neighbor boundary lipids. Therefore, a mesoscopic approach to membrane lipid-protein interactions in terms of elastic membrane deformations has been developed. Solid-state NMR has greatly contributed to the understanding of lipid-protein interactions and the modern view of biological membranes. Methods that detect the influence of proteins on the membrane as well as direct lipid-protein interactions have been developed and are reviewed here. Examples for solid-state NMR studies on the interaction of Ras proteins, the antimicrobial peptide protegrin-1, the G protein-coupled receptor rhodopsin, and the K+ channel KcsA are discussed.

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Huster, Daniel. "Solid-state NMR spectroscopy to study protein-lipid interactions." Universität Leipzig, 2014. https://ul.qucosa.de/id/qucosa%3A14047.

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The appropriate lipid environment is crucial for the proper function of membrane proteins. There is a tremendous variety of lipid molecules in the membrane and so far it is often unclear which component of the lipid matrix is essential for the function of a respective protein. Lipid molecules and proteins mutually influence each other; parameters such as acyl chain order, membrane thickness, membrane elasticity, permeability, lipid-domain and annulus formation are strongly modulated by proteins. More recent data also indicates that the influence of proteins goes beyond a single annulus of next-neighbor boundary lipids. Therefore, a mesoscopic approach to membrane lipid-protein interactions in terms of elastic membrane deformations has been developed. Solid-state NMR has greatly contributed to the understanding of lipid-protein interactions and the modern view of biological membranes. Methods that detect the influence of proteins on the membrane as well as direct lipid-protein interactions have been developed and are reviewed here. Examples for solid-state NMR studies on the interaction of Ras proteins, the antimicrobial peptide protegrin-1, the G protein-coupled receptor rhodopsin, and the K+ channel KcsA are discussed.

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Bornes, Carlos Manuel Pereira. "Study of zeolites acidic properties using solid-state NMR." Master's thesis, Universidade de Aveiro, 2017. http://hdl.handle.net/10773/22764.

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Mestrado em Química
Os zeólitos têm propriedades únicas, como a porosidade, acidez e estabilidade térmica, desejadas quer na investigação académica, quer nas aplicações industriais. Neste trabalho foram preparadas amostras do zeólito ZSM-5 (Zeolite Socony Mobil–5) com propriedades de acidez distintas, nomeadamente o tipo e a força dos centros ácidos, investigadas recorrendo a experiências multinucleares 1D e 2D de RMN do estado sólido. As moléculas sonda de fósforo apresentam um grande potencial para caracterizar detalhadamente as propriedades de acidez destes materiais, por RMN do estado sólido. Esta tese apresenta novos resultados, mostrando que a interação entre a molécula sonda (TMPO) e os centros ácidos de Brønsted e Lewis não resulta em duas regiões distintas do espectro de RMN de 31P, contrariamente ao que está descrito na literatura. Experiências 2D 1H-31P CP-HETCOR foram utilizadas pela primeira vez em zeólitos com TMPO adsorvida para obter mais informação acerca da interação desta molécula sonda com os centros ácidos. Combinando as experiências 1D e 2D de um conjunto de zeólitos com propriedades distintas, foi possível obter resultados e refutar ou resolver atribuições controversas encontradas na literatura. Neste trabalho foram também utilizados cálculos computacionais DFT, usando o método de cluster, para investigar a interação entre a molécula sonda e os centros ácidos de Brønsted.
Zeolites have unique properties, such as porosity, acidity and thermal stability, desired for a wide range of both academic research and industrial applications. In this work, several ZSM-5 zeolite samples (Zeolite Socony Mobil–5) with distinct acidic properties, namely acid type and strength, were prepared and investigated through multinuclear 1D and 2D NMR experiments. Phosphorous containing probes show great potential to achieve a comprehensive characterization of zeolite’s acidic features, via solid-state NMR. New results presented in this thesis reveal that the interaction of TMPO with Brønsted and Lewis acid sites, does not result in two distinct regions in the 31P NMR spectra, in contrast with literature reports. 2D 1H-31P CP-HETCOR experiments were used for the first time in TMPO-loaded zeolites to gain more information on the interaction of TMPO molecules with the zeolite centers. Combining 1D and 2D experiments obtained for a group of ZSM-5 zeolites with tuned acidic properties, provided results that refute or solve certain controversial literature assignments. Cluster-based DFT computational methods were also used to investigate the interaction between TMPO and Brønsted acid sites.

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Dyball, Helen Catherine Jane. "A study of 3He films using SQUID NMR." Thesis, Royal Holloway, University of London, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.252057.

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Lewis, Wendy Lee. "Study of the Chain Dynamics of Polyaniline by Solid-State." University of Akron / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=akron1227535369.

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Lu, Kwong M. "A study of winding interactions in the NMR imagers." Thesis, University of Aberdeen, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.303405.

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In an NMR imaging system, there are five principal sets of windings, namely the main magnet, the radio frequency coil and three sets of field gradient windings. In principle, these windings should all be mutually orthogonal, that is, their mutual inductance should be zero. However, when these windings are assembled together in a limited space inside an NMR imager, they are found to be interacting with each other, which can significantly degrade the imager performance. The experimental investigations on the existing winding sets indicate that there are significant interactions between the rf receiver coil and three distributed gradient windings. In particular, the longitudinal gradient winding, acting along the rf field direction, can interact more severely with the rf coil than the other two gradient windings. Such interactions can seriously damp the desired resonance of the rf receiver coil, and displace its desired resonant frequency, leading to a lower signal-to-noise ratio in the image. To understand the interactions between the rf coil and this particular gradient winding, theoretical models have been developed and experimentally verified. The analysis based on these model calculations shows that there is a mutual coupling between the rf coil and the individual parts of the gradient winding. This can introduce a significant loss into the rf coil and change its resonant frequency. The model study has also been extended to the analysis of the multiple resonance properties of distributed gradient windings. The effects of these resonances on the rf coil are also discussed. The possibility of isolating the rf coil from the gradient windings by means of an rf shield has been considered. The experimental results indicate that, for a 3:2 shield radius to coil radius ratio, the losses of the rf coil due to such a shield are much smaller than those due to the winding interactions. The investigations also indicate a noticeable improvement of the rf field homogeneity when using such a shield.

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Books on the topic "Solid-state NMR study of pyrochlores"

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Dirken, Petrus Johannes. Solid state NMR study of minerals and glasses: Application of off-resonance nutation spectroscopy. [Utrecht: Faculteit Aardwetenschappen der Universiteit Utrecht], 1994.

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Book chapters on the topic "Solid-state NMR study of pyrochlores"

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Kitaoka, Y., K. Ishida, F. Fujiwara, T. Kondo, K. Asayama, M. Horvatic, Y. Berthier, et al. "NMR Study of High-Tc Superconductors." In Springer Series in Solid-State Sciences, 262–73. Berlin, Heidelberg: Springer Berlin Heidelberg, 1989. http://dx.doi.org/10.1007/978-3-642-83836-1_26.

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Kaplan, S., E. M. Conwell, A. F. Richter, and A. G. MacDiarmid. "Solid-State 2H and 13C NMR Study of the Structure of Polyanilines." In Solid State NMR of Polymers, 283–94. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4899-2474-2_17.

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Cholli, A. L., F. C. Schilling, and A. E. Tonelli. "Radiation Induced Morphological Changes in a Semi-Crystalline Polymer: A 13C NMR Study." In Solid State NMR of Polymers, 117–30. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4899-2474-2_6.

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Schleicher, A., K. Müller, and G. Kothe. "Solid State NMR Relaxation Study of Liquid Crystal Polymers Employing a Two-Dimensional Technique." In Solid State NMR of Polymers, 261–70. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4899-2474-2_15.

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Veeman, W. S., and W. E. J. R. Maas. "Solid State NMR Techniques for the Study of Polymer-Polymer Miscibility." In Solid-State NMR III Organic Matter, 127–62. Berlin, Heidelberg: Springer Berlin Heidelberg, 1994. http://dx.doi.org/10.1007/978-3-642-61223-7_3.

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Geppi, Marco, Silvia Borsacchi, and Elisa Carignani. "Study of Disorder by Solid-State NMR Spectroscopy." In Disordered Pharmaceutical Materials, 427–66. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527652693.ch14.

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Bryce, David L., and Jasmine Viger-Gravel. "Solid-State NMR Study of Halogen-Bonded Adducts." In Topics in Current Chemistry, 183–203. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/128_2014_542.

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Perry, B. C., and J. L. Koenig. "A Solid-State 13C NMR Study of Polysiloxane Side-Chain Liquid Crystalline Polymers Containing 2-[4-(2S)-Methyl-Butoxy)-Phenyl]-5-(ω-Alkyl)-1,3,2-Dioxaborinane with Alkyl Being Undecanyl and Octyl." In Solid State NMR of Polymers, 215–32. Boston, MA: Springer US, 1991. http://dx.doi.org/10.1007/978-1-4899-2474-2_12.

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Whittaker, A. K., C. Fite, K. Zniber, and P. Bernier. "7Li NMR Study of the Electrochemical Doping of Poly(acetylene)." In Springer Series in Solid-State Sciences, 170–74. Berlin, Heidelberg: Springer Berlin Heidelberg, 1987. http://dx.doi.org/10.1007/978-3-642-83284-0_31.

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Ramanathan, Krishna V., and Neeraj Sinha. "Cross-Polarisation Applied to the Study of Liquid Crystalline Ordering." In Current Developments in Solid State NMR Spectroscopy, 55–68. Vienna: Springer Vienna, 2002. http://dx.doi.org/10.1007/978-3-7091-3715-4_3.

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Conference papers on the topic "Solid-state NMR study of pyrochlores"

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Majumder, M., K. Ghoshray, A. Ghoshray, A. Pal, and V. P. S. Awana. "Anisotropic spin-fluctuations in SmCoPO: 31P NMR study." In SOLID STATE PHYSICS: Proceedings of the 56th DAE Solid State Physics Symposium 2011. AIP, 2012. http://dx.doi.org/10.1063/1.4710426.

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Pahari, Bholanath. "75As NMR study of the oriented pnictide superconducting compound NdFeAsO0.83F0.17." In DAE SOLID STATE PHYSICS SYMPOSIUM 2015. Author(s), 2016. http://dx.doi.org/10.1063/1.4948153.

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Mito, Takeshi. "NMR study of valence fluctuating state in rare-earth based materials with multi-4f electrons." In SOLID STATE PHYSICS: PROCEEDINGS OF THE 57TH DAE SOLID STATE PHYSICS SYMPOSIUM 2012. AIP, 2013. http://dx.doi.org/10.1063/1.4791552.

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M., Manjunatha, Rajeev Kumar, Siddesh B. M., Balaram Sahoo, R. Damle, and K. P. Ramesh. "Structural variation study of cobalt nanoparticles synthesized by co-precipitation method using 59Co NMR." In DAE SOLID STATE PHYSICS SYMPOSIUM 2017. Author(s), 2018. http://dx.doi.org/10.1063/1.5028746.

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Ali Biswas, Aksar, Yatramohan Jana, Alka B. Garg, R. Mittal, and R. Mukhopadhyay. "Study on the low-temperature properties of pyrochlores Gd[sub 2]Hf[sub 2]O[sub 7] and Gd[sub 2]Zr[sub 2]O[sub 7], using crystal-field theory." In SOLID STATE PHYSICS, PROCEEDINGS OF THE 55TH DAE SOLID STATE PHYSICS SYMPOSIUM 2010. AIP, 2011. http://dx.doi.org/10.1063/1.3606256.

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NAKAMURA, K., T. KANASHIRO, M. VIJAYAKUMAR, and S. SELVASEKARAPANDIAN. "NMR STUDY ON Li+ IONIC DIFFUSION IN LixV2O5 PREPARED BY SOLID-STATE REACTION." In Proceedings of the 1st International Discussion Meeting. WORLD SCIENTIFIC, 2007. http://dx.doi.org/10.1142/9789812706904_0024.

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Muraki, K. "Resistively Detected NMR Study of Correlated Electrons in a GaAs Quantum Well: Fractional Quantum Hall States and More." In 2013 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 2013. http://dx.doi.org/10.7567/ssdm.2013.e-5-1.

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Khimyak, Yaroslav Z., James T. A. Jones, and Paul V. Wiper. "Probing the Molecular Level Structure in Aluminium Containing Bifunctional Mesoporous Organosilicas: A Solid-State NMR Study." In 2008 MRS Fall Meetin. Materials Research Society, 2008. http://dx.doi.org/10.1557/proc-1148-pp10-02.

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Gomes, Matheus G. R., Hélio F. dos Santos, and Diego F. S. Paschoal. "Predicting Co-59 NMR Chemical Shit using the NMR-DKH Basis Sets." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol2020179.

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Abstract:

The cobalt-59 nucleus is an NMR active nucleus with the nuclear spin I = 7/2 and has a natural abundance of 100 %. It is an important nucleus because it has ease of detectable NMR signals both liquid and solid-state. The Co-59 NMR chemical shift range is one of the largest known in NMR spectroscopy, spanning some 18,000 ppm or more. However, Co-59 NMR is an extremely sensitive technique to external factors such as pressure, temperature, and others. Therefore, predicting Co-59 NMR chemical shift might be useful to assist experimentalists in the structural characterization. In the present study, we propose a new NMR-DKH basis set for Co atom to predict NMR chemical shift in Co complexes. Besides, we proposed a computational protocol (Functional DFT/Co basis set/Ligands basis set) for the prediction of the structure and, later, for the prediction of the Co-59 NMR chemical shift using 6 Co complexes as model systems. The results show that the computational protocol (NMR/structure) GIAO-B3LYP/NMR-DKH/IEF-PCM(UFF)//CAM-B3LYP/LANL2DZ/jorge-DZP/IEF-PCM(UFF) presents a mean relative deviation (DRM) of 1.48% for the structure, a mean absolute deviation (MAD) of 101 ppm and a DRM of 1.2% for the Co-59 chemical shift. Finally, the protocol was corrected by a linear regression model giving a MAD and MRD of 57 ppm and 0.7%, respectively.

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Eichenauer, Sabrina, Bernd Weber, and Ernst A. Stadlbauer. "Thermochemical Processing of Animal Fat and Meat and Bone Meal to Hydrocarbon Based Fuels." In ASME 2015 9th International Conference on Energy Sustainability collocated with the ASME 2015 Power Conference, the ASME 2015 13th International Conference on Fuel Cell Science, Engineering and Technology, and the ASME 2015 Nuclear Forum. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/es2015-49197.

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The results of the study at hand may have implications for treatment of grease, lipid fractions, free fatty acids (FFA) and salts of FFA extracted from wastes of food industry, bio-refineries or sewage sludge as well as contaminated lipid containing forage. The goal of the study is, to prevent such contaminated wastes from entering the food chain. The following ways of treatment are proposed. Thermal conversion of waste fats from rendering plants or lipids in the presence of aluminosilicates of the zeolite family produce hydrocarbons with net calorific values in the range of 40–42 MJ/kg. NMR studies show aliphatic hydrocarbons as main product at T = 400°C. The spectrum of products is shifted to alkyl benzenes at T = 550°C. In case of sodium carbonate conversion is achieved in the presence of 5% water at T = 430 ± 20°C yielding mainly a liquid bio-crude with a low acid index, a mixture of non-condensable gases and minor amounts of coke. Rectification of bio-crude from animal fat produces 65.8% of hydrocarbon based bio-diesel and 13.3% of gasoline type hydrocarbons. Distillation curve for bio-diesel is in accordance with DIN EN 490. However, the gasoline fraction lacks low boiling hydrocarbons indicating the necessity for technical improvements of condensers. Sodium carbonate is found to be effective as well as being relatively inexpensive compared to zeolite catalysts. Finally, successful conversion of meat and bone meal to biochar is proved by solid-state 13C-NMR.

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Reports on the topic "Solid-state NMR study of pyrochlores"

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Miknis, F. A solid-state NMR study of condensation/retrograde reactions during coal liquefaction. Office of Scientific and Technical Information (OSTI), November 1989. http://dx.doi.org/10.2172/5586272.

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Althaus, Stacey. Application of solid state NMR for the study of surface bound species and fossil fuels. Office of Scientific and Technical Information (OSTI), January 2014. http://dx.doi.org/10.2172/1342572.

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Netzel, D. A., D. C. Lane, J. F. Rovani, J. D. Cox, J. A. Clark, and F. P. Miknis. Use of solid waste for chemical stabilization: Adsorption isotherms and {sup 13}C solid-state NMR study of hazardous organic compounds sorbed on coal fly ash. Office of Scientific and Technical Information (OSTI), September 1993. http://dx.doi.org/10.2172/10123623.

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Miknis, F. P. A solid-state NMR study of condensation/retrograde reactions during coal liquefaction: Quarterly progress report, January 1, 1989--March 31, 1989. Office of Scientific and Technical Information (OSTI), April 1989. http://dx.doi.org/10.2172/6133697.

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