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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.
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.
Auch die komplett überarbeitete 3. Auflage dieses bewährten Lehrbuchs überzeugt durch Klarheit, eine didaktisch gelungene Aufbereitung des Stoffes und ein hohes Maß an Praxisbezug. Das komplexe Thema wird mit einem Mindestmaß an Mathematik erklärt - ideal für Studenten, die die Grundlagen der NMR-Spektroskopie verstehen und das Verfahren effizient und präzise anwenden möchten. Die neue Auflage ist vollständig überarbeitet und aktualisiert. So sind rund 25% der Inhalte neu, darunter auch Kapitel zur biologischen NMR-Spektroskopie sowie viele Beispiele aus der organischen Chemie. Daher stellt dieses Fachbuch auch für Studenten in Grund- und Hauptstudium verwandter Fachrichtungen wie der Biochemie, Medizinischen Chemie, Pharmazeutischen Chemie und Materialwissenschaften einen wertvollen Leitfaden dar. Außerdem findet der Leser eine Vielzahl von Übungsaufgaben mit zugehörigen Lösungen.
As a spectroscopic method, Nuclear Magnetic Resonance (NMR) has seen spectacular growth over the past two decades, both as a technique and in its applications. Today the applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules which is covered in two reports: "NMR of Proteins and Acids" and "NMR of Carbohydrates, Lipids and Membranes". For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an in valuable source of current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.
This set of essays was given as lectures at the 4th Waterloo International Summer School on Nuclear Magnetic Resonance held in June 1975 at the University of Water loo. The school was sponsored by the National Research Council of Canada and by the Canadian Association of Physicists. These Contributions are introductory and were not intended to be review papers. For valuable help, I would like to thank R. S. Hallsworth, D. W. Nicoll, and R. T. Thompson. M.M.Pintar Table of Contents A Guide to Relaxation Theory. By A. G. Redfield .................... 1 Thermodynamics of Spin Systems in Solids. An Elementary Introduction. By J. Jeener. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13 . . . . . . . . . . . . Coherent Averaging and Double Resonance in Solids. By J. S. Waugh. . . . . .. . 23 Macroscopic Dipole Coherence Phenomena. By. E. L. Hahn . . . . . . . . . .. . . 31 . Nuclear Spins and Non Resonant Electromagnetic Phenomena. By G. J. Bene. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . 45 . . . . . . . . . Nuclear Spin Relaxation in Molecular Hydrogen. By F. R. McCourt. . . . . . .. . 55 Longitudinal Nuclear Spin Relaxation Time Measurements in Molecular Gases. By R. L. Armstrong . . . . . . . . . . . . . . . . . . . . . . . . .. . . . 71 . . . . . . . Spin-Lattice Relaxation in Nematic Liquid Crystals Via the Modulation of the Intramolecular Dipolar Interactions by Order Fluctuations. By R. Blinc . . .. 97 NMR Studies of Molecular Tunnelling. By S. Clough . . . . . . . . . . . . .. . . . 113 . . Effect of Molecular Tunnelling on NMR Absorption and Relaxation in Solids. By M. M. Pintar . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . 125 . . . . . . . . . .
As a spectroscopic method, Nuclear Magnetic Resonance (NMR) has seen spectacular growth over the past two decades, both as a technique and in its applications. Today the applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules which is covered in two reports: "NMR of Proteins and Acids" and "NMR of Carbohydrates, Lipids and Membranes". For those wanting to become rapidly acquainted with specific areas of NMR, this title provides unrivalled scope of coverage. Seasoned practitioners of NMR will find this an in valuable source of current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.
Until recently quantum chemical ab initio calculations were re stricted to atoms and very small molecules. As late as in 1960 Allen l and Karo stated : "Almost all of our ab initio experience derives from diatomic LCAO calculations ••• N and we have found in the litera ture "approximately eighty calculations, three-fourths of which are for diatomic molecules ••• There are approximately twenty ab initio calculations for molecules with more than two atoms, but there is a decided dividing line between the existing diatomic and polyatomic wave functions. Confidence in the satisfactory evaluation of the many -center two-electron integrals is very much less than for the diatom ic case". Among the noted twenty calculations, SiH was the largest 4 molecule treated. In most cases a minimal basis set was used and the many-center two-electron integrals were calculated in an approximate way. Under these circumstances the ab initio calculations could hard ly provide useful chemical information. It is therefore no wonder that the dominating role in the field of chemical applications was played by semiempirical and empirical methods. The situation changed essentially in the next decade. The problem of many-center integrals was solved, efficient and sophisticated computer programs were devel oped, basis sets suitable for a given type of problem were suggested, and, meanwhile, a considerable amount of results has been accumulated which serve as a valuable comparative material. The progress was of course inseparable from the development and availability of computers.
This is the fifth edition of the highly successful, classic textbook for bachelor and master courses, with over 20 % new material and the contents completely revised and updated. Using a minimum of mathematics, it explains the underlying theory of this most important spectroscopic technique in a thorough, yet readily understandable way, covering instrumentation and interpretation of the spectra. It presents all students need to know about 1D, 2D-NMR, solid state and dynamic NMR spectroscopy, as well as NMR imaging, all illustrated by examples for maximum clarity. All the sections include sub-chapters that focus on applications taken from organic, macromolecular, polymer and biochemistry. A must for students and lecturers in chemistry, biochemistry, pharmacy, and life sciences, as well as for spectroscopists.
The increasing interest in NMR spectroscopy of what in some confer ences in this field is commonly termed "other nuclei" is unmistakable. Chemists and biologists who employ NMR spectroscopy to study their problems have, however, been somewhat reluctant to study nuclei with electric quadrupole moments. These nuclei frequently give rise to broad NMR signals, sometimes too broad to be detectable with ordinary high resolution NMR spectrometers. Spectrometers that could cope with broad NMR signals of low intensity, "wide-line" spectrometers, have been available since the mid 1950:s but it appears that most of these instruments ended up in physical laboratories where the research was primarily directed towards solid state problems. The study of quadrupolar nuclei can provide unique and very valuable information on a variety of physico-chemical and biological systems. For one thing the relaxation of quadrupolar nuclei is in many ways easier to interpret than the relaxation of non-quadrupolar nuclei, since the former is in many cases caused by purely intramolecular interactions modulated by the molecular motion. Studies of quadrupolar relaxation have therefore furnished important information about molec ular reorientation and association in liquids and have played - and will certainly play for many years - an important role in testing new theoretical models of molecular motion in liquids.
This is the only how-to volume that investigates the spectroscopy of a variety of nuclides other than H andC in depth. It contains extensive reference material and numerous problems, most of which include real spectra. It is written to provide users with the knowledge necessary to choose the most appropriate experiment to obtain the best quality spectra with the ability to fully interpret the data. The book covers basic theory of NMR spectroscopy, spectrum measurement, the chemical shift and examples for selected nuclei, symmetry and NMR spectroscopy, spin-spin coupling and NMR spin systems, typical magnitude of selected coupling constants, nuclear spin relaxation, the nuclear overhauser effect, editing C NMR spectra, two-dimensional NMR spectroscopy, dynamic NMR spectroscopy, lanthanide shift reagents (LSR), NMR of solids. For NMR spectroscopists and analytical chemists.