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High-Resolution NMR Techniques in Organic Chemistry

High-Resolution NMR Techniques in Organic Chemistry
  • Author : Timothy D.W. Claridge
  • Publisher :Unknown
  • Release Date :2016-04-22
  • Total pages :552
  • ISBN : 9780080999937
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Summary : High-Resolution NMR Techniques in Organic Chemistry, Third Edition describes the most important NMR spectroscopy techniques for the structure elucidation of organic molecules and the investigation of their behaviour in solution. Appropriate for advanced undergraduate and graduate students, research chemists and NMR facility managers, this thorough revision covers practical aspects of NMR techniques and instrumentation, data collection, and spectrum interpretation. It describes all major classes of one- and two-dimensional NMR experiments including homonuclear and heteronuclear correlations, the nuclear Overhauser effect, diffusion measurements, and techniques for studying protein–ligand interactions. A trusted authority on this critical expertise, High-Resolution NMR Techniques in Organic Chemistry, Third Edition is an essential resource for every chemist and NMR spectroscopist.

High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures

High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures
  • Author : Anonim
  • Publisher :Unknown
  • Release Date :2013-08-27
  • Total pages :456
  • ISBN : 0444594116
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Summary : The progress in nuclear magnetic resonance (NMR) spectroscopy that took place during the last several decades is observed in both experimental capabilities and theoretical approaches to study the spectral parameters. The scope of NMR spectroscopy for studying a large series of molecular problems has notably broadened. However, at the same time, it requires specialists to fully use its potentialities. This is a notorious problem and it is reflected in the current literature where this spectroscopy is typically only used in a routine way. Also, it is seldom used in several disciplines in which it could be a powerful tool to study many problems. The main aim of this book is to try to help reverse these trends. This book is divided in three parts dealing with 1) high-resolution NMR parameters; 2) methods for understanding high-resolution NMR parameters; and 3) some experimental aspects of high-resolution NMR parameters for studying molecular structures. Each part is divided into chapters written by different specialists who use different methodologies in their work. In turn, each chapter is divided into sections. Some features of the different sections are highlighted: it is expected that part of the readership will be interested only in the basic aspects of some chapters, while other readers will be interested in deepening their understanding of the subject dealt with in them. Shows how NMR parameters are useful for structure assignment as well as to obtain insight on electronic structures Emphasis on conceptual aspects Contributions by specialists who use the discussed methodologies in their everyday work

High Resolution NMR Spectroscopy in Solids

High Resolution NMR Spectroscopy in Solids
  • Author : M. Mehring
  • Publisher :Unknown
  • Release Date :2012-01-21
  • Total pages :248
  • ISBN : 364296334X
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Summary : Manipulation and Dilution Tools for Ruling Abundant Species "NMR is dead" was the slogan heard in the late 1960s at least among physicists, until John S. Waugh and his co-workers initiated a series of new NMR experiments, which employed the coherent modulation of interactions by strong radiofrequency fields. A wealth of new phenomena was observed, which are summarized in the introduction for the convenience of the unbiased reader, whereas Section 2 collects the basic spin interactions observed in solids. Line-narrowing effects in dipolar coupled solids by the application of multiple pulse experiments are extensively discussed in Section 3. Numerous extensions of the basic Waugh, Huber, and Haeberlen experiment have been developed by different groups and have been applied to the nuclei IH, 9Be, 19F, 27Al, 31p, 63CU in solids. Application of this technique to a variety of systems is still in progress and should reveal interesting insights into weak spin interactions in solids. It was soon realized that rare spins could be used as monitors for molecular fields in the solid state; however, rare spin observation is difficult because of the small signal-to-noise ratio. Pines, Gibby, and Waugh introduced a new concept of cross-polarization, based on ideas of Hahn and co-workers, which allows the detection ofrare spins with increased sensitivity. The dynamics involved are treated in detail. Other sections merely list results obtained by the techniques described and demonstrate their usefulness in the investigation of dynamical problems in molec ular and solid state physics.

High-resolution NMR Techniques in Organic Chemistry

High-resolution NMR Techniques in Organic Chemistry
  • Author : T. Claridge
  • Publisher :Unknown
  • Release Date :1999
  • Total pages :382
  • ISBN : 0080427995
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Summary : From the initial observation of proton magnetic resonance in water and in paraffin, the discipline of nuclear magnetic resonance has seen unparalleled growth as an analytical method. Modern NMR spectroscopy is a highly developed, yet still evolving, subject which finds application in chemistry, biology, medicine, materials science and geology. In this book, emphasis is on the more recently developed methods of solution-state NMR applicable to chemical research, which are chosen for their wide applicability and robustness. These have, in many cases, already become established techniques in NMR laboratories, in both academic and industrial establishments. A considerable amount of information and guidance is given on the implementation and execution of the techniques described in this book.

High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures

High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures
  • Author : Anonim
  • Publisher :Unknown
  • Release Date :2013-06-08
  • Total pages :456
  • ISBN : 9780444594143
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Summary : The progress in nuclear magnetic resonance (NMR) spectroscopy that took place during the last several decades is observed in both experimental capabilities and theoretical approaches to study the spectral parameters. The scope of NMR spectroscopy for studying a large series of molecular problems has notably broadened. However, at the same time, it requires specialists to fully use its potentialities. This is a notorious problem and it is reflected in the current literature where this spectroscopy is typically only used in a routine way. Also, it is seldom used in several disciplines in which it could be a powerful tool to study many problems. The main aim of this book is to try to help reverse these trends. This book is divided in three parts dealing with 1) high-resolution NMR parameters; 2) methods for understanding high-resolution NMR parameters; and 3) some experimental aspects of high-resolution NMR parameters for studying molecular structures. Each part is divided into chapters written by different specialists who use different methodologies in their work. In turn, each chapter is divided into sections. Some features of the different sections are highlighted: it is expected that part of the readership will be interested only in the basic aspects of some chapters, while other readers will be interested in deepening their understanding of the subject dealt with in them. Shows how NMR parameters are useful for structure assignment as well as to obtain insight on electronic structures Emphasis on conceptual aspects Contributions by specialists who use the discussed methodologies in their everyday work

High Resolution Nuclear Magnetic Resonance Spectroscopy

High Resolution Nuclear Magnetic Resonance Spectroscopy
  • Author : J. W. Emsley,J Feeney,L H Sutcliffe
  • Publisher :Unknown
  • Release Date :2013-10-22
  • Total pages :542
  • ISBN : 9781483184081
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Summary : High Resolution Nuclear Magnetic Resonance Spectroscopy, Volume 2 provides a comprehensive coverage of the theories and methods for analysis of high resolution spectra. The title also presents a discourse on other variables that affect the spectra. The text first details the correlations of 1H resonance spectral parameters with molecular structure, and then proceeds to tackling the 19F nuclear magnetic resonance studies. Next, the selection deals with the NMR spectra of nuclei other than hydrogen fluoride. The text also provides data sets, such as nuclear properties, T-values, and chemical shifts. The book will be of great use to scientists who utilize nuclear magnetic resonance in their work.

High-resolution NMR Techniques in Organic Chemistry

High-resolution NMR Techniques in Organic Chemistry
  • Author : T. Claridge
  • Publisher :Unknown
  • Release Date :1999
  • Total pages :382
  • ISBN : 0080427987
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Summary : From the initial observation of proton magnetic resonance in water and in paraffin, the discipline of nuclear magnetic resonance has seen unparalleled growth as an analytical method. Modern NMR spectroscopy is a highly developed, yet still evolving, subject which finds application in chemistry, biology, medicine, materials science and geology. In this book, emphasis is on the more recently developed methods of solution-state NMR applicable to chemical research, which are chosen for their wide applicability and robustness. These have, in many cases, already become established techniques in NMR laboratories, in both academic and industrial establishments. A considerable amount of information and guidance is given on the implementation and execution of the techniques described in this book.

High Resolution Nuclear Magnetic Resonance Spectroscopy

High Resolution Nuclear Magnetic Resonance Spectroscopy
  • Author : James William Emsley,J. Feeney,L. H. Sutcliffe
  • Publisher :Unknown
  • Release Date :1965
  • Total pages :663
  • ISBN : UCLA:L0065454167
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Summary :

Computer Assistance in the Analysis of High-Resolution NMR Spectra

Computer Assistance in the Analysis of High-Resolution NMR Spectra
  • Author : P. Diehl,H. Kellerhals,E. Lustig
  • Publisher :Unknown
  • Release Date :2011-12-27
  • Total pages :96
  • ISBN : 3642652638
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Summary : Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment ofall branches by one author, or even by several, becomes increasingly difficult. by experts workinginvarious This seriesis planned to present articles written fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Computer Assistance in the Analysis of High-Resolution NMR Spectra P. DIEHL and H. KELLERHALS Departmentof Physics, University ofBasle, Switzerland E. LUSTIG Food and Drug Administration, Washington, D.C., U.S.A.

Principles of High Resolution NMR in Solids

Principles of High Resolution NMR in Solids
  • Author : M. Mehring
  • Publisher :Unknown
  • Release Date :2012-12-06
  • Total pages :344
  • ISBN : 9783642687563
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Summary : The field of Nuclear Magnetic Resonance (NMR) has developed at a fascinating pace during the last decade. It always has been an extremely valuable tool to the organic chemist by supplying molecular "finger print" spectra at the atomic level. Unfortunately the high resolution achievable in liquid solutions could not be obtained in solids and physicists and physical chemists had to live with unresolved lines open to a wealth of curve fitting procedures and a vast amount of speculations. High resolution NMR in solids seemed to be a paradoxon. Broad structure less lines are usually encountered when dealing with NMR in solids. Only with the recent advent of mUltiple pulse, magic angle, cross-polarization, two-dimen sional and multiple-quantum spectroscopy and other techniques during the last decade it became possible to resolve finer details of nuclear spin interactions in solids. I have felt that graduate students, researchers and others beginning to get involved with these techniques needed a book which treats the principles, theo retical foundations and applications of these rather sophisticated experimental techniques. Therefore I wrote a monograph on the subject in 1976. Very soon new ideas led to the developement of "two-dimensional spectroscopy" and "multiple-quantum spectroscopy", topics which were not covered in the first edition of my book. Moreover an exponential growth of literature appeared in this area of research leaving the beginner in an awkward situation of tracing back from a current article to the roots of the experiment.

High Resolution NMR Spectroscopy in Solids

High Resolution NMR Spectroscopy in Solids
  • Author : M. Mehring
  • Publisher :Unknown
  • Release Date :2012-12-06
  • Total pages :248
  • ISBN : 9783642963322
GET BOOK HERE

Summary : Manipulation and Dilution Tools for Ruling Abundant Species "NMR is dead" was the slogan heard in the late 1960s at least among physicists, until John S. Waugh and his co-workers initiated a series of new NMR experiments, which employed the coherent modulation of interactions by strong radiofrequency fields. A wealth of new phenomena was observed, which are summarized in the introduction for the convenience of the unbiased reader, whereas Section 2 collects the basic spin interactions observed in solids. Line-narrowing effects in dipolar coupled solids by the application of multiple pulse experiments are extensively discussed in Section 3. Numerous extensions of the basic Waugh, Huber, and Haeberlen experiment have been developed by different groups and have been applied to the nuclei IH, 9Be, 19F, 27Al, 31p, 63CU in solids. Application of this technique to a variety of systems is still in progress and should reveal interesting insights into weak spin interactions in solids. It was soon realized that rare spins could be used as monitors for molecular fields in the solid state; however, rare spin observation is difficult because of the small signal-to-noise ratio. Pines, Gibby, and Waugh introduced a new concept of cross-polarization, based on ideas of Hahn and co-workers, which allows the detection ofrare spins with increased sensitivity. The dynamics involved are treated in detail. Other sections merely list results obtained by the techniques described and demonstrate their usefulness in the investigation of dynamical problems in molec ular and solid state physics.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy
  • Author : Rubén H. Contreras
  • Publisher :Unknown
  • Release Date :2013-06-08
  • Total pages :456
  • ISBN : 9780128082959
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Summary : In this introductory chapter are described briefly the aims and scopes of this multiauthor book. One of the main ideas behind them is helping its readership to understand some approaches for extracting information on subtle chemical interactions, defining trends of such parameters from either measured or calculated high-resolution NMR parameters (indirect nuclear spin–spin coupling constants and nuclear magnetic shielding constant) without needing to acquire solid backgrounds on quantum chemistry. However, in all cases, the discussed ideas are based on solid grounds, and adequate references are quoted for readers interested in a better understanding of the basic concepts lying behind such approaches. It is highlighted that such discussions are restricted only to a few methods in order to both avoid overlapping this book with descriptions found in the current literature and to avoid lengthening this book beyond reasonable limits. It was also considered pertinent to include chapters dealing with concepts whose importance are increasing rapidly in modern NMR spectroscopy like for instance, relativistic effects on NMR parameters in compounds containing heavy atoms, and NMR spectroscopy in paramagnetic species, pNMR. Also, it was considered opportune including in this book excellent examples showing how very good excellent sets of experimental values can provide interesting insight in some chemical interactions.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy
  • Author : Juha Vaara
  • Publisher :Unknown
  • Release Date :2013-06-08
  • Total pages :456
  • ISBN : 9780128082973
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Summary : The theory and quantum-chemical calculations of the spectral parameters of nuclear magnetic resonance (NMR) are well established in the case of diamagnetic, closed-shell molecules. In contrast, NMR calculations of paramagnetic, open-shell molecules (pNMR) are scarce, limited by both assumptions within the underlying theoretical background as well as the availability of computational implementations. We discuss the systematic development of pNMR theory that recently culminated in a novel, general and systematic electronic structure approach for the shielding tensor and the associated chemical shift for paramagnetic, open-shell atoms, molecules, and nonmetallic solids. The approach has now been extended for the first time to a higher than doublet spin state as well as arbitrary spatial symmetry. The approach is formulated without reference to spin susceptibility, in contrast to the contemporary experimental procedure and approximate quantum-chemical treatment of axial zero-field splitting. As a result of the systematic procedure, all the temperature-dependent hyperfine shielding terms are generalized and, for example, the leading-order nonrelativistic dipolar term now provides an isotropic chemical shift contribution for species with triplet and higher spin multiplicity. Recent first-principles quantum-chemical calculations of pNMR chemical shifts are reviewed both using the novel theory as well as earlier approaches.

High Resolution NMR of Macromolecules

High Resolution NMR of Macromolecules
  • Author : Frank Bovey
  • Publisher :Unknown
  • Release Date :2012-12-02
  • Total pages :476
  • ISBN : 9780323148931
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Summary : High Resolution NMR of Macromolecules presents the development in the NMR study of polymers. This book discusses the exciting area of application of NMR to polymer science as the result of the more general accessibility of instruments of high magnetic field. Organized into 15 chapters, this book begins with an overview of the spectral analysis and the dependence of chemical shifts and J couplings on structure. This text then discusses the isomerism in polymer chains without special reference to NMR. Other chapters consider the interpretation of synthetic polymer spectra in terms of structure, stereochemical configuration, conformation, and chain growth mechanism. This book discusses as well the application of high resolution NMR to the study of nucleic acids, which has not been so well developed as that of polypeptides and proteins. The final chapter deals with biopolymers and their model compounds. This book is a valuable resource for chemists and research workers.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy
  • Author : Rubén H. Contreras,Cláudio F. Tormena,Lucas C. Ducati,T. Llorente
  • Publisher :Unknown
  • Release Date :2013-06-08
  • Total pages :456
  • ISBN : 9780128083048
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Summary : In this chapter, the qualitative model described in is applied to show systematic rationalizations in terms of chemical interactions that define well-known trends for chemical shifts corresponding to 13C, 15N, 17O, and 19F isotopes. The theoretical fundamentals for this approach are given in . They could be a bit difficult to follow for readers who do not have a good training in physics and mathematics. However, this difficulty was intended to be overcome by resorting in to describing this approach and providing “physically” several mathematical expressions and describing them in terms of familiar concepts employed frequently in different branches of chemistry and structural biology. The authors believe that once readers understand how easy this approach is and how it facilitates building pictorial representations of how several chemical interactions can be detected by means of high-resolution NMR spectroscopy, the initial problems will be overcome very soon.

High Resolution NMR Spectroscopy in Solids

High Resolution NMR Spectroscopy in Solids
  • Author : M Mehring
  • Publisher :Unknown
  • Release Date :1976-09-01
  • Total pages :264
  • ISBN : 3642963331
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Summary :

The Application of High Resolution NMR Spectroscopy to Solids

The Application of High Resolution NMR Spectroscopy to Solids
  • Author : Elizabeth Rinden
  • Publisher :Unknown
  • Release Date :1983
  • Total pages :100
  • ISBN : OCLC:9628289
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Summary :

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy
  • Author : P. Lazzeretti
  • Publisher :Unknown
  • Release Date :2013-06-08
  • Total pages :456
  • ISBN : 9780128083017
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Summary : The Ramsey theory of nuclear magnetic resonance spectral parameters has been reformulated in terms of current densities induced in the electron cloud of a molecule by an external magnetic field and intramolecular magnetic dipoles at the nuclei. Conditions for invariance of nuclear magnetic shielding and nuclear spin–spin coupling tensors, in gauge transformations of the vector potentials associated to the magnetic perturbations, have been expressed via quantum mechanical sum rules, also providing constraints for charge conservation. It is shown that the combined use of current density and property density maps provides valuable tools for the rationalization of magnetic response.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy
  • Author : Gustavo A. Aucar,Martin C. Ruiz de Azúa,Claudia G. Giribet
  • Publisher :Unknown
  • Release Date :2013-06-08
  • Total pages :456
  • ISBN : 9780128082997
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Summary : Polarization propagators (PP) are powerful theoretical tools that allow carrying out a deep analysis of the electronic mechanisms underlying any molecular response property. The inner projections of the PP and contributions from localized orbitals within the PP approaches described in were developed to fully take advantage of this power of analysis for the study of NMR spectroscopic parameters. They are based on the use of localized molecular orbitals (LMOs) related to chemically intuitive concepts to decompose the mathematical expression of these parameters into coupling pathways or shielding pathways. Each of them may be furthermore decomposed into two new objects: (i) perturbators, which give information on the efficiency of a given magnetic perturbation to produce local excitations and (ii) the principal propagator matrix elements which provide deep understanding on the way perturbations are transmitted within the electronic framework of the molecule under study. Applications are presented in , both within semiempirical and ab initio approaches: the Karplus rule, a general analysis of the signs of J couplings, σ–π decomposition, hyperconjugative effects in transmission of J couplings, general features of 1J couplings, and intermolecular couplings in hydrogen-bonded systems. All applications were especially selected to cover examples in which qualitative physical insight can be gained.

High Resolution NMR

High Resolution NMR
  • Author : Edwin D. Becker
  • Publisher :Unknown
  • Release Date :2013-10-22
  • Total pages :324
  • ISBN : 9781483267890
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Summary : High Resolution NMR: Theory and Chemical Applications focuses on the applications of nuclear magnetic resonance (NMR), as well as chemical shifts, lattices, and couplings. The book first offers information on the theory of NMR, including nuclear spin and magnetic moment, spin lattice relaxation, line widths, saturation, quantum mechanical description of NMR, and ringing. The text then ponders on instrumentation and techniques and chemical shifts. Discussions focus on the origin of chemical shifts, reference compounds, empirical correlations of chemical shifts, modulation and phase detection, requirements for high resolution NMR, and superconducting magnets. The text elaborates on electron-coupled spin-spin interactions, as well as origin of spin-spin coupling, signs of coupling constants, theory of spin-spin coupling, correlation of coupling constants with other physical properties, and observed coupling constant. The manuscript also ponders on the use of NMR in structure elucidation, theory and applications of double resonance, and analysis of complex spectra. The publication is a dependable reference for readers interested in high resolution NMR.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy
  • Author : Rubén H. Contreras,M.B. Ferraro,Martin C. Ruiz de Azúa,Gustavo A. Aucar
  • Publisher :Unknown
  • Release Date :2013-06-08
  • Total pages :456
  • ISBN : 9780128082966
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Summary : This chapter describes briefly chemical shifts (or nuclear magnetic shielding constants) and indirect spin–spin coupling constants. They are well known as powerful tools for studying several molecular properties which are very important in different branches of the broad field of molecular sciences. The present description is oriented to an interdisciplinary audience and therefore it is expected that it can be followed for readers without strong backgrounds either in mathematics or physics. After a short revision of basic concepts, a qualitative method devised to extract information on electronic molecular structures is described. This aim is achieved employing this qualitative method for relating such parameters known in different series of compounds with several common chemical interactions. Since both types of NMR parameters present second-rank tensor properties, it is discussed how such property is affected in molecules measured in isotropic phase. Anybody with mathematical and physical background would answer immediately, “in isotropic phase is only observed one-third of the respective tensor trace.” However, in molecules that trace depends on the relative orientation of the Principal Axes System and bonds associated to the atom whose nuclear magnetic shielding is studied, or to the straight line connecting a pair of coupled nuclei. To describe these effects in this chapter is coined the expression “the geometric effect” to identify them. The same expression is also employed in . A list of exercises and appropriate references are included at the end of this chapter.