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.

Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful and widely used techniques in chemical research for investigating structures and dynamics of molecules. Advanced methods can even be utilized for structure determinations of biopolymers, for example proteins or nucleic acids. NMR is also used in medicine for magnetic resonance imaging (MRI). The method is based on spectral lines of different atomic nuclei that are excited when a strong magnetic field and a radiofrequency transmitter are applied. The method is very sensitive to the features of molecular structure because also the neighboring atoms influence the signals from individual nuclei and this is important for determining the 3D-structure of molecules. This new edition of the popular classic has a clear style and a highly practical, mostly non-mathematical approach. Many examples are taken from organic and organometallic chemistry, making this book an invaluable guide to undergraduate and graduate students of organic chemistry, biochemistry, spectroscopy or physical chemistry, and to researchers using this well-established and extremely important technique. Problems and solutions are included.

Applications of NMR Spectroscopy is a book series devoted to publishing the latest advances in the applications of nuclear magnetic resonance (NMR) spectroscopy in various fields of organic chemistry, biochemistry, health and agriculture. The fifth volume of the series features several reviews focusing on NMR spectroscopic techniques for identifying natural and synthetic compounds (polymer and peptide characterization, GABA in tinnitus affected mice), medical diagnosis and therapy (gliomas) and food analysis. The spectroscopic methods highlighted in this volume include high resolution proton magnetic resonance spectroscopy and solid state NMR.

This book describes the use of NMR spectroscopy for dealing with problems of small organic molecule structural elucidation. It features a significant amount of vital chemical shift and coupling information but more importantly, it presents sound principles for the selection of the techniques relevant to the solving of particular types of problem, whilst stressing the importance of extracting the maximum available information from the simple 1-D proton experiment and of using this to plan subsequent experiments. Proton NMR is covered in detail, with a description of the fundamentals of the technique, the instrumentation and the data that it provides before going on to discuss optimal solvent selection and sample preparation. This is followed by a detailed study of each of the important classes of protons, breaking the spectrum up into regions (exchangeables, aromatics, heterocyclics, alkenes etc.). This is followed by consideration of the phenomena that we know can leave chemists struggling; chiral centres, restricted rotation, anisotropy, accidental equivalence, non-first-order spectra etc. Having explained the potential pitfalls that await the unwary, the book then goes on to devote chapters to the chemical techniques and the most useful instrumental ones that can be employed to combat them. A discussion is then presented on carbon-13 NMR, detailing its pros and cons and showing how it can be used in conjunction with proton NMR via the pivotal 2-D techniques (HSQC and HMBC) to yield vital structural information. Some of the more specialist techniques available are then discussed, i.e. flow NMR, solvent suppression, Magic Angle Spinning, etc. Other important nuclei are then discussed and useful data supplied. This is followed by a discussion of the neglected use of NMR as a tool for quantification and new techniques for this explained. The book then considers the safety aspects of NMR spectroscopy, reviewing NMR software for spectral prediction and data handling and concludes with a set of worked Q&As.

NMR Spectroscopy Explained : Simplified Theory, Applications and Examples for Organic Chemistry and Structural Biology provides a fresh, practical guide to NMR for both students and practitioners, in a clearly written and non-mathematical format. It gives the reader an intermediate level theoretical basis for understanding laboratory applications, developing concepts gradually within the context of examples and useful experiments. Introduces students to modern NMR as applied to analysis of organic compounds. Presents material in a clear, conversational style that is appealing to students. Contains comprehensive coverage of how NMR experiments actually work. Combines basic ideas with practical implementation of the spectrometer. Provides an intermediate level theoretical basis for understanding laboratory experiments. Develops concepts gradually within the context of examples and useful experiments. Introduces the product operator formalism after introducing the simpler (but limited) vector model.

Nuclear Magnetic Resonance is a powerful tool, especially for the identification of 1 13 hitherto unknown organic compounds. H- and C-NMR spectroscopy is known and applied by virtually every synthetically working Organic Chemist. Con- quently, the factors governing the differences in chemical shift values, based on chemical environment, bonding, temperature, solvent, pH, etc. , are well understood, and specialty methods developed for almost every conceivable structural challenge. Proton and carbon NMR spectroscopy is part of most bachelors degree courses, with advanced methods integrated into masters degree and other graduate courses. In view of this universal knowledge about proton and carbon NMR spectr- copy within the chemical community, it is remarkable that heteronuclear NMR is still looked upon as something of a curiosity. Admittedly, most organic compounds contain only nitrogen, oxygen, and sulfur atoms, as well as the obligatory hydrogen and carbon atoms, elements that have an unfavourable isotope distribution when it comes to NMR spectroscopy. Each of these three elements has a dominant isotope: 14 16 32 16 32 N (99. 63% natural abundance), O (99. 76%), and S (95. 02%), with O, S, and 34 14 S (4. 21%) NMR silent. N has a nuclear moment I = 1 and a sizeable quadrupolar moment that makes the NMR signals usually very broad and dif cult to analyse.

In recent years high-resolution nuclear magnetic resonance spec troscopy has found very wide application in organie chemistry in structural and physicochemical investigations and. also in the study of the characteristics of organic compounds which are re lated to the distribution of the electron cloud in the molecules. The vigorous development of this method, which may really be re garded as an independent branch of science, is the result of ex tensive progress in NMR technology, the refinement of its theory, and the accumulation of large amounts of experimental material, which has been correlated by empiricallaws and principles. The literature directly concerned with the NMR method and its applica tion has now grown to such an extent that a complete review of it is practically impossible. Therefore the authors have limited themselves to an examination of only the most important, funda mental, and general investigations. The book consists of six chapters. In the first chapter we have attempted to present the fundamentals of the NMR method in such a way that the reader with little knowledge of the subject will be able to use the method in practical work for investigating simple compounds and solving simple problems. The three subsequent chapters give a deeper analysis of the method, while the last two chapters and the appendix illustrate the various applications of NMR spectroscopy in organic chemistry.