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NMR of Quadrupolar Nuclei in Solid Materials

NMR of Quadrupolar Nuclei in Solid Materials
Author: Roderick E. Wasylishen
Publisher: John Wiley & Sons
Total Pages: 564
Release: 2012-08-07
Genre: Science
ISBN: 0470973986
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The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. Over the past 20 years technical developments in superconducting magnet technology and instrumentation have increased the potential of NMR spectroscopy so that it is now possible to study a wide range of solid materials. In addition, one can probe the nuclear environments of many other additional atoms that possess the property of spin. In particular, it is possible to carry out NMR experiments on isotopes that have nuclear spin greater that ½ (i.e. quadrupolar nuclei). Since more that two-thirds of all NMR active isotopes are quadrupolar nuclei, applications of NMR spectroscopy with quadrupolar nuclei are increasing rapidly. The purpose of this handbook is to provide under a single cover the fundamental principles, techniques and applications of quadrupolar NMR as it pertains to solid materials. Each chapter has been prepared by an expert who has made significant contributions to out understanding and appreciation of the importance of NMR studies of quadrupolar nuclei in solids. The text is divided into three sections: The first provides the reader with the background necessary to appreciate the challenges in acquiring and interpreting NMR spectra of quadrupolar neclei in solids. The second presents cutting-edge techniques and methodology for employing these techniques to investigate quadrupolar nuclei in solids. The final section explores applications of solid-state NMR studies of solids ranging from investigations of dynamics, characterizations of biological samples, organic and inorganic materials, porous materials, glasses, catalysts, semiconductors and high-temperature superconductors. About EMR Handbooks / eMagRes Handbooks The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this Handbook and the complete content of eMagRes at your fingertips! Visit: www.wileyonlinelibrary.com/ref/eMagRes View other eMagRes publications here

NMR of Quadrupolar Nuclei in Solid Materials

NMR of Quadrupolar Nuclei in Solid Materials
Author: Roderick E. Wasylishen
Publisher: John Wiley & Sons
Total Pages: 564
Release: 2012-12-19
Genre: Science
ISBN: 1118588843
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NMR OF QUADRUPOLAR NUCLEI IN SOLID MATERIALS Over the past 20 years technical developments in superconducting magnet technology and instrumentation have increased the potential of NMR spectroscopy so that it is now possible to study a wide range of solid materials. In addition, one can probe the nuclear environments of many other additional atoms that possess the property of spin. In particular, it is possible to carry out NMR experiments on isotopes that have nuclear spin greater that 1⁄2 (i.e. quadrupolar nuclei). Since more that two-thirds of all NMR active isotopes are quadrupolar nuclei, applications of NMR spectroscopy with quadrupolar nuclei are increasing rapidly. The purpose of this handbook is to provide under a single cover the fundamental principles, techniques and applications of quadrupolar NMR as it pertains to solid materials. Each chapter has been prepared by an expert who has made significant contributions to out understanding and appreciation of the importance of NMR studies of quadrupolar nuclei in solids. The text is divided into three sections: The first provides the reader with the background necessary to appreciate the challenges in acquiring and interpreting NMR spectra of quadrupolar neclei in solids. The second presents cutting-edge techniques and methodology for employing these techniques to investigate quadrupolar nuclei in solids. The final section explores applications of solid-state NMR studies of solids ranging from investigations of dynamics, characterizations of biological samples, organic and inorganic materials, porous materials, glasses, catalysts, semiconductors and high-temperature superconductors. About EMR Handbooks The Encyclopedia of Magnetic Resonance (EMR) publishes a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence-of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of Encyclopedia articles. In consultation with the EMR Editorial Board, the EMR Handbooks are coherently planned in advance by specially-selected Editors, and new articles, are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this handbook and the complete content of the Encyclopedia of Magnetic Resonance at your fingertips! Visit: www.wileyonlinelibrary.com/ref/emr

Multinuclear Solid-State Nuclear Magnetic Resonance of Inorganic Materials

Multinuclear Solid-State Nuclear Magnetic Resonance of Inorganic Materials
Author: Kenneth J.D. MacKenzie
Publisher: Elsevier
Total Pages: 748
Release: 2002-04-26
Genre: Science
ISBN: 0080537103
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Techniques of solid state nuclear magnetic resonance (NMR) spectroscopy are constantly being extended to a more diverse range of materials, pressing into service an ever-expanding range of nuclides including some previously considered too intractable to provide usable results. At the same time, new developments in both hardware and software are being introduced and refined. This book covers the most important of these new developments. With sections addressed to non-specialist researchers (providing accessible answers to the most common questions about the theory and practice of NMR asked by novices) as well as a more specialised and up-to-date treatment of the most important areas of inorganic materials research to which NMR has application, this book should be useful to NMR users whatever their level of expertise and whatever inorganic materials they wish to study.

Current Developments in Solid State NMR Spectroscopy

Current Developments in Solid State NMR Spectroscopy
Author: Norbert Müller
Publisher: Springer Science & Business Media
Total Pages: 154
Release: 2003-01-31
Genre: Science
ISBN: 9783211838945
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This book presents some of the latest developments in solid state NMR with potential applications in both materials and biological science. The main emphasis is on a strong link between theory and experiment via numerical simulation of NMR spectra which play a pivotal role in the design and development of pulse schemes in solid state NMR. The papers focus on non-biological topics of solid state NMR spectroscopy making the book useful for scientists and advanced students in chemistry, physics, and materials science striving for deeper understanding of this topic and its application potential. Three invited reviews focus on developments in solid state NMR of quadrupolar nuclei, which are of high interest in areas like materials science and heterogeneous catalysis.

NMR Spectroscopy of Exotic Quadrupolar Nuclei in Solids

NMR Spectroscopy of Exotic Quadrupolar Nuclei in Solids
Author: Alexandra Faucher
Publisher:
Total Pages: 234
Release: 2016
Genre: Exotic nuclei
ISBN:
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This thesis is concerned with NMR studies of solids containing NMR-active quadrupolar nuclei typically overlooked due to their unfavorable NMR properties, particularly moderate to large nuclear electric quadrupole moments. It is shown that 75As, 87Sr, and 121/123Sb NMR spectra of a wide range of solid materials can be obtained. Traditional 1D pulse sequences (e.g., Bloch pulse, spin echo, QCPMG) are used alongside new methods (e.g., WURST echo, WURST-QCPMG) to acquire the NMR spectra; the advantages of these new methods are illustrated. Most of these NMR spectra were acquired at an external magnetic field strength of B0 = 21.14 T. Central transition (mI = 1/2 to -1/2) linewidths of half-integer quadrupolar nuclei of up to a breadth of ca. 32 MHz are obtained at B0 = 21.14 T, demonstrating that nuclear sites with large nuclear quadrupolar coupling constants can be characterized. Many of the NMR spectra contained in this research depict situations in which the nuclear quadrupolar interaction is on the order of or exceeds the magnitude of the Zeeman interaction, thus rendering the high-field approximation invalid and requiring exact treatment in which the full Zeeman-quadrupolar Hamiltonian is diagonalized in order to properly simulate the NMR spectra and extract NMR parameters. It is also shown that both direct (Reff) and indirect (J) spin-spin coupling between quadrupolar nuclei can be quantified in some circumstances, and that the signs of the isotropic indirect spin-spin coupling and the nuclear quadrupolar coupling constants can be obtained experimentally in cases of high-field approximation breakdown. This research represents a relatively large and valuable contribution to the available 75As, 87Sr, and 121/123Sb NMR data in the literature. For example, experimentally determined chemical shift anisotropy is reported for the 87Sr nucleus in a powdered solid for the first time, and the NMR parameters for 11B-75As spin-spin coupling constants reported here add to a sparse collection of information on quadrupolar spin-pairs. Overall, this research is a step towards the goal of utilizing the entire NMR periodic table for the characterization of molecular and crystallographic structure as well as structural dynamics.

NMR and MRI of Electrochemical Energy Storage Materials and Devices

NMR and MRI of Electrochemical Energy Storage Materials and Devices
Author: Yong Yang
Publisher: Royal Society of Chemistry
Total Pages: 573
Release: 2021-06-17
Genre: Science
ISBN: 1839160101
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Energy storage material is a hot topic in material science and chemistry. During the past decade, nuclear magnetic resonance (NMR) has emerged as a powerful tool to aid understanding of the working and failing mechanisms of energy storage materials and devices. The aim of this book is to introduce the use of NMR methods for investigating electrochemical storage materials and devices. Presenting a comprehensive overview of NMR spectroscopy and magnetic resonance imaging (MRI) on energy storage materials, the book will include the theory of paramagnetic interactions and relevant calculation methods, a number of specific NMR approaches developed in the past decade for battery materials (e.g. in situ, ex situ NMR, MRI, DNP, 2D NMR, NMR dynamics) and case studies on a variety of related materials. Helping both NMR spectroscopists entering the field of batteries and battery specialists seeking diagnostic methods for material and device degradation, it is written by leading authorities from international research groups in this field.

Solid State NMR

Solid State NMR
Author: Klaus Müller
Publisher: John Wiley & Sons
Total Pages: 562
Release: 2021-08-23
Genre: Science
ISBN: 352731816X
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Solid State NMR A thorough and comprehensive textbook covering the theoretical background, experimental approaches, and major applications of solid-state NMR spectroscopy Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful non-destructive technique capable of providing information about the molecular structure and dynamics of molecules. Alongside solution-state NMR, a well-established technique to study chemical structures and investigate physico-chemical properties of molecules in solutions, solid-state NMR (SSNMR) offers many exciting possibilities for the analysis of solid and soft materials across scientific fields. SSNMR shows unique capabilities for a detailed investigation of structural and dynamic properties of materials over wide space and time ranges. For this reason, and thanks to significant advances in the past several years, the application of SSNMR to materials is rapidly increasing in disciplines such as chemistry, physics, and materials and life sciences. Solid State NMR: Principles, Methods, and Applications offers a systematic introduction to the theory, methodological concepts, and major experimental methods of SSMR spectroscopy. Exploring the unique potential of SSNMR for the structural and dynamic characterization of soft and either amorphous or crystalline solid materials, this comprehensive textbook provides foundational knowledge and recent developments of SSNMR, covering physical and theoretical background, experimental methods, and applications to pharmaceuticals, polymers, inorganic and hybrid materials, liquid crystals, and model membranes. Written by two expert authors to ensure a clear and consistent presentation of the subject, this textbook: Includes a brief introduction to the historical aspects and broad theoretical background of solid-state NMR spectroscopy Provides helpful illustrations to explain the various SSNMR concepts and methods Features accessible descriptive text with self-consistent use of quantum mechanics Covers the experimental aspects of SSNMR spectroscopy and in particular a description of many useful pulse sequences Contains references to relevant literature Solid State NMR: Principles, Methods, and Applications is the ideal textbook for university courses on SSNMR, advanced spectroscopies, and a valuable single-volume reference for spectroscopists, chemists, and researchers in the field of materials.

Solid-State Nuclear Magnetic Resonance of Exotic Quadrupolar Nuclei as a Direct Probe of Molecular Structure in Organic Ionic Solids

Solid-State Nuclear Magnetic Resonance of Exotic Quadrupolar Nuclei as a Direct Probe of Molecular Structure in Organic Ionic Solids
Author: Kevin Burgess
Publisher:
Total Pages:
Release: 2015
Genre: University of Ottawa theses
ISBN:
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In the past decade, the field of NMR spectroscopy has seen the emergence of ever more powerful superconducting magnets, which has opened the door for the observation of many traditionally challenging or non-receptive nuclei. In this dissertation, a variety of ionic solids with organic coordination environments are investigated using quadrupolar solid-state NMR experiments with an ultrahigh-field magnet (21.1 T). Two general research directions are presented including a 79/81Br solid-state NMR study of a series of 6 triphenylphosphonium bromides for which single-crystal X-ray structures are reported herein. A second research direction is also presented wherein alkaline-earth metal (25Mg, 43Ca, and 87Sr) solid-state NMR is used to characterize a systematic series of 16 aryl and alkyl carboxylates. In both studies, the quadrupolar nuclei studied are deemed zexoticy due to their unreceptive nature to NMR spectroscopic analysis including low natural abundances, large quadrupole moments, or low resonance frequencies. A variety of coordination modes to alkaline-earth metals, including N-atom coordination, are characterized herein for the first time using alkaline-earth metal solid-state NMR. In all cases, the electric field gradient (EFG) and chemical shift (CS) tensors are characterized and correlated to structural features such as interatomic distances measured from the crystal structure of the compound under study. In all of the projects undertaken herein, the gauge-including projector-augmented-wave density functional theory (GIPAW DFT) method is used, which allows for the prediction and rationalization of the experimental EFG and CS tensor parameters based on the input crystal structure. In the case of 43Ca solid-state NMR experiments reported in this dissertation, a linear correlation between the calculated and experimental 43Ca quadrupolar coupling constants, CQ, is used as a calibration curve for GIPAW DFT calculations performed on the 18 structural models currently available for the vaterite polymorph of CaCO3. Vaterite cannot be fully characterized by X-ray diffraction alone; therefore an NMR crystallography protocol is used in order to identify the model that best accounts for 43Ca solid-state NMR experiments performed on vaterite. It is expected that the conclusions from this dissertation can be used for future studies involving structural refinement and elucidation of solid materials containing challenging quadrupolar nuclei.

Solid-State NMR in Materials Science

Solid-State NMR in Materials Science
Author: Vladimir I. Bakhmutov
Publisher: CRC Press
Total Pages: 277
Release: 2016-04-19
Genre: Science
ISBN: 1439869642
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Solid-state NMR is a powerful physical method widely applied in modern fundamental and applied science, medicine, and industry. Its role is particularly valuable in materials chemistry due to the capability of solid-state NMR to rapidly solve tasks connected with structural descriptions of complex systems on macro and/or molecular levels, and the i

Modern Methods in Solid-state NMR

Modern Methods in Solid-state NMR
Author: Paul Hodgkinson
Publisher: Royal Society of Chemistry
Total Pages: 452
Release: 2018-04-05
Genre: Science
ISBN: 1788014197
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Solid-state NMR covers an enormous range of material types and experimental techniques. Although the basic instrumentation and techniques of solids NMR are readily accessible, there can be significant barriers, even for existing experts, to exploring the bewildering array of more sophisticated techniques. In this unique volume, a range of experts in different areas of modern solid-state NMR explain about their area of expertise, emphasising the “practical aspects” of implementing different techniques, and illustrating what questions can and cannot be addressed. Later chapters address complex materials, showing how different NMR techniques discussed in earlier chapters can be brought together to characterise important materials types. The volume as a whole focusses on topics relevant to the developing field of “NMR crystallography” – the use of solids NMR as a complement to diffraction crystallography. This book is an ideal complement to existing introductory texts and reviews on solid-state NMR. New researchers wanting to understand new areas of solid-state NMR will find each chapter to be the equivalent to spending time in the laboratory of an internationally leading expert, learning the hints and tips that make the difference between knowing about a technique and being ready to put it into action. With no equivalent on the market, it will be of interest to every solid-state NMR researcher (academic and postgraduate) working in the chemical sciences.