Problems in Organic Structure Determination

A Practical Approach to NMR Spectroscopy

Author: Roger G. Linington,Philip G. Williams,John B. MacMillan

Publisher: CRC Press

ISBN: 1498719635

Category: Science

Page: 755

View: 2865

At a point where most introductory organic chemistry texts end, this problems-based workbook picks up the thread to lead students through a graduated set of 120 problems. With extensive detailed spectral data, it contains a variety of problems designed by renowned authors to develop proficiency in organic structure determination. This workbook leads you from basic problems encountered in introductory organic chemistry textbooks to highly complex natural product-based problems. It presents a concept-based learning platform, introducing key concepts sequentially and reinforcing them with problems that exemplify the complexities and underlying principles that govern each concept. The book is organized in such a way that allows you to work through the problems in order or in selections according to your experience and desired area of mastery. It also provides access to raw data files online that can be downloaded and used for data manipulation using freeware or commercial software. With its problem-centered approach, integrated use of online and digital resources, and appendices that include notes and hints, Problems in Organic Structure Determination: A Practical Approach to NMR Spectroscopy is an outstanding resource for training students and professionals in structure determination.

NMR of Macromolecules

A Practical Approach

Author: Gordon C. K. Roberts

Publisher: Oxford University Press

ISBN: 0199632243

Category: Political Science

Page: 399

View: 2350

The last 10-15 years have seen an enormous upsurge in the use of nuclear magnetic resonance (NMR) to study the conformation and interactions of biological macromolecules. NMR is now second in importance only to x-ray crystallography in structural molecular biology. As a result, more and more biologists are seeking to use NMR to solve their structural problems. There are several very good books which give an introduction to the theory of modern NMR spectroscopy, but much less is available on the practical side which is specifically tailored to the special technique required. The aim of this book is to provide the newcomer to these applications of NMR, whether a graduate student or a more senior biologist who wishes to apply NMR to his or her favourite protein, with practical guidance on how to choose the right experiment to obtain the desired information, how to carry out the experiment, and how to analyse the resulting spectra. Those who are familar with chemical applications of NMR but not those to biological macromolecules will also find this book helpful in describing the special requirements of NMR studies of these large molecules. One of the consequences of the considerable proliferation of papers describing the application of NMR to biological macromolecules has been the increasing reluctance of journals to provide space for a detailed description of the methods involved in, for example, resonance assignment or the analysis of NOEs for structure determination. This book will fill this gap, so as to allow the reader both to understand what is involved in the experiments described in the literature and to embark on the application of these powerful methods to his or her own system.

Organic Structure Determination Using 2-D NMR Spectroscopy

A Problem-based Approach

Author: Jeffrey H. Simpson

Publisher: Academic Press

ISBN: 0123849705

Category: Science

Page: 574

View: 9018

"The second edition of this book comes with a number of new figures, passages, and problems. Increasing the number of figures from 290 to 448 has necessarily added considerable length, weight, and, expense. It is my hope that the book has not lost any of its readability and accessibility. I firmly believe that most of the concepts needed to learn organic structure determination using nuclear magnetic resonance spectroscopy do not require an extensive mathematical background. It is my hope that the manner in which the material contained in this book is presented both reflects and validates this belief"--

Nuclear Magnetic Resonance Spectroscopy

An Introduction to Principles, Applications, and Experimental Methods

Author: Joseph B. Lambert,Eugene P. Mazzola,Clark D. Ridge

Publisher: Wiley

ISBN: 1119295238

Category: Science

Page: 480

View: 9291

Combines clear and concise discussions of key NMR concepts with succinct and illustrative examples Designed to cover a full course in Nuclear Magnetic Resonance (NMR) Spectroscopy, this text offers complete coverage of classic (one-dimensional) NMR as well as up-to-date coverage of two-dimensional NMR and other modern methods. It contains practical advice, theory, illustrated applications, and classroom-tested problems; looks at such important ideas as relaxation, NOEs, phase cycling, and processing parameters; and provides brief, yet fully comprehensible, examples. It also uniquely lists all of the general parameters for many experiments including mixing times, number of scans, relaxation times, and more. Nuclear Magnetic Resonance Spectroscopy: An Introduction to Principles, Applications, and Experimental Methods, 2nd Edition begins by introducing readers to NMR spectroscopy - an analytical technique used in modern chemistry, biochemistry, and biology that allows identification and characterization of organic, and some inorganic, compounds. It offers chapters covering: Experimental Methods; The Chemical Shift; The Coupling Constant; Further Topics in One-Dimensional NMR Spectroscopy; Two-Dimensional NMR Spectroscopy; Advanced Experimental Methods; and Structural Elucidation. Features classical analysis of chemical shifts and coupling constants for both protons and other nuclei, as well as modern multi‐pulse and multi-dimensional methods Contains experimental procedures and practical advice relative to the execution of NMR experiments Includes a chapter-long, worked-out problem that illustrates the application of nearly all current methods Offers appendices containing the theoretical basis of NMR, including the most modern approach that uses product operators and coherence-level diagrams By offering a balance between volumes aimed at NMR specialists and the structure-determination-only books that focus on synthetic organic chemists, Nuclear Magnetic Resonance Spectroscopy: An Introduction to Principles, Applications, and Experimental Methods, 2nd Edition is an excellent text for students and post-graduate students working in analytical and bio-sciences, as well as scientists who use NMR spectroscopy as a primary tool in their work.

NMR Spectroscopy of the Non-Metallic Elements

Author: Stefan Berger,Siegmar Braun,Hans-Otto Kalinowski

Publisher: Wiley


Category: Science

Page: 1098

View: 9963

NMR Spectroscopy of the Non-Metallic Elements Stefan Berger Philipps-Universität, Marburg, Germany Siegmar Braun Technische Hochschule Darmstadt, Germany Hans-Otto Kalinowski Justus-Liebig-Universität, Gießen, Germany In recent years, the technique of Nuclear Magnetic Resonance (NMR) Spectroscopy has rapidly gained in importance outside its traditional areas of proton NMR and carbon-13 NMR. In particular, it has become much more applicable to compounds containing elements such as phosphorus, nitrogen and fluorine. NMR Spectroscopy of the Non-Metallic Elements gathers together a wealth of NMR data for the most important non-metallic elements, namely nitrogen, oxygen, fluorine, phosphorus, sulphur and xenon. For each element, the data for the simpler compounds and their derivatives (both organic and inorganic) are gathered together in as complete a form as possible, and the regularities that emerge are discussed in detail in relation to structural variations. This allows the reader to interpret the structure of more complex structures. The chapters containing the NMR data for the elements are preceded by a practical introduction to the basic theory and experimental techniques of the NMR parameters, especially the chemical shift and indirect spin-spin coupling. This material will help the reader both in finding practical solutions to problems of structure determination, and in critically evaluating the spectra obtained. NMR Spectroscopy of the Non-Metallic Elements is an invaluable reference source for all laboratories where NMR is used. It will also be widely used by organic and inorganic chemists, especially those working on nitrogen, fluorine and phosphorus compounds.

NMR and Chemistry

An introduction to modern NMR spectroscopy, Fourth Edition

Author: J.W. Akitt,B. E. Mann

Publisher: CRC Press

ISBN: 9780748743445

Category: Science

Page: 400

View: 2612

Keeping mathematics to a minimum, this book introduces nuclear properties, nuclear screening, chemical shift, spin-spin coupling, and relaxation. It is one of the few books that provides the student with the physical background to NMR spectroscopy from the point of view of the whole of the periodic table rather than concentrating on the narrow applications of 1H and 13C NMR spectroscopy. Aids to structure determination, such as decoupling, the nuclear Overhauser effect, INEPT, DEPT, and special editing, and two dimensional NMR spectroscopy are discussed in detail with examples, including the complete assignment of the 1H and 13C NMR spectra of D-amygdain. The authors examine the requirements of a modern spectrometer and the effects of pulses and discuss the effects of dynamic processes as a function of temperature or pressure on NMR spectra. The book concludes with chapters on some of the applications of NMR spectroscopy to medical and non-medical imaging techniques and solid state chemistry of both I = F1/2 and I > F1/2 nuclei. Examples and problems, mainly from the recent inorganic/organometallic chemistry literature support the text throughout. Brief answers to all the problems are provided in the text with full answers at the end of the book.

Solving Problems with NMR Spectroscopy

Author: Atta-ur-Rahman,Muhammad Iqbal Choudhary,Atia-tul- Wahab

Publisher: Academic Press

ISBN: 0124116132

Category: Science

Page: 534

View: 9679

Solving Problems with NMR Spectroscopy, Second Edition, is a fully updated and revised version of the best-selling book. This new edition still clearly presents the basic principles and applications of NMR spectroscopy with only as much math as is necessary. It shows how to solve chemical structures with NMR by giving many new, clear examples for readers to understand and try, with new solutions provided in the text. It also explains new developments and concepts in NMR spectroscopy, including sensitivity problems (hardware and software solutions) and an extension of the multidimensional coverage to 3D NMR. The book also includes a series of applications showing how NMR is used in real life to solve advanced problems beyond simple small-molecule chemical analysis. This new text enables organic chemistry students to choose the most appropriate NMR techniques to solve specific structures. The problems provided by the authors help readers understand the discussion more clearly and the solution and interpretation of spectra help readers become proficient in the application of important, modern 1D, 2D, and 3D NMR techniques to structural studies. Explains and presents the most important NMR techniques used for structural determinations Offers a unique problem-solving approach for readers to understand how to solve structure problems Uses questions and problems, including discussions of their solutions and interpretations, to help readers understand the fundamentals and applications of NMR Avoids use of extensive mathematical formulas and clearly explains how to implement NMR structure analysis Foreword by Nobel Prize winner Richard R. Ernst New to This Edition Key developments in the field of NMR spectroscopy since the First Edition in 1996 New chapter on sensitivity enhancement, a key driver of development in NMR spectroscopy New concepts such as Pulse Field Gradients, shaped pulses, and DOSY (Diffusion Order Spectroscopy) in relevant chapters More emphasis on practical aspects of NMR spectroscopy, such as the use of Shigemi tubes and various types of cryogenic probes Over 100 new problems and questions addressing the key concepts in NMR spectroscopy Improved figures and diagrams More than 180 example problems to solve, with detailed solutions provided at the end of each chapter

The Multinuclear Approach to NMR Spectroscopy

Author: J.B. Lambert,F.G. Riddell

Publisher: Springer Science & Business Media

ISBN: 9400971303

Category: Mathematics

Page: 548

View: 4463

The field of nuclear magnetic resonance has experienced a number of spectacular developments during the last decade. Fourier transform methodology revolutionized signal acquisition capabilities. Superconducting magnets enhanced sensitivity and produced considerable improvement in spectral dispersion. In areas of new applicat ions, the life sciences particularly bene fited from these developments and probably saw the largest increase in usage. NMR imaging promises to offer a noninvasive alternative to X rays. High resolution is now achievable with solids, through magic angle spinning and cross polarization, so that the powers of NMR are applicable to previously intractable materials such as polymers, coal, and other geochemicals. The ease of obtaining relaxation times brought an important fourth variable, after the chemical shift, the coupling constant, and the rate constant, to the examination of structural and kinetic problems i~ all fields. Software development, particularly in the area of pulse sequences, created a host of useful tech niques, including difference decoupling and difference nuclear Overhauser effect spectra, multidimensional displays, signal enhancement (INEPT), coupling constant analysis for connectivity (INADEQUATE), and observation of specific structural classes such as only quaternary carbons. Finally, hardware development gave us access to the entire Periodic Table, to the particular advan tage of the inorganic and organometallic chemist. At the NATO Advanced Study Institute at Stirling, Scotland, the participants endeavored to examine all these advances, except imaging, from a multidisciplinary point of view.

Bioactive Natural Products Detection, Isolation, and Structural Determination

Author: Steven M. Colegate,Russell J. Molyneux

Publisher: CRC Press

ISBN: 9780849343728

Category: Science

Page: 544

View: 4053

Bioactive Natural Products covers all the aspects of bioactive natural product research from ethnobotanical investigations to modern, technologically assisted isolation and structural determination of active compounds. An internationally selected group of experts share their knowledge of a wide range of bioactivities and chemical compound classes. Topics in the chapters describing the modern application of detection, isolation, and structural determination techniques are strongly supported by chapters detailing and reviewing research involving various classes of bioactivity. Research areas include the immunomodulatory, antiviral, cytotoxic, anti-inflammatory, and insect behavior classes of bioactivity. Extensive referencing throughout the text is helpful to those readers not familiar with this subject and serves as a critical review for more experienced researchers. The book is also excellent for upper division or post-graduate courses.

Organic Structure Analysis

Author: Phillip Crews,Jaime Rodríguez,Marcel Jaspars

Publisher: Oxford University Press, USA

ISBN: 9780195336047

Category: Medical

Page: 636

View: 5292

The most up-to-date integrated spectroscopy text available, Organic Structure Analysis, Second Edition, is the only text that teaches students how to solve structures as they are solved in actual practice. Ideal for advanced undergraduate and graduate courses in organic structure analysis, organic structure identification, and organic spectroscopy, it emphasizes real applications--integrating theory as needed--and introduces students to the latest spectroscopic methods. An Instructor's Resource CD-ROM, which includes all of the figures from the text in electronic format and the solutions to all of the exercises and problems from the text (in an editable Word file format), is also available for adopting professors. Please contact your publisher sales representative. FEATURES * Focus on Structure: Opens with structural elements and then considers the characteristics, advantages, and disadvantages of spectroscopic methods. Includes coverage of the steps used in determining a molecular structure, the limitations to organic structure determination by spectroscopic methods, and an "Organic Structure Analyses Gone Bad" table (all unique to this text) * Practical Organization: Presents the most commonly used methods first, beginning with an overview of strategies, followed by the use of NMR, and then moving on to mass spectrometry, infrared, and ultraviolet * Innovative Real-World Problem-Solving Approach: Follows the actual information flow used by chemists to solve molecular structures, as opposed to the standard methods-based approach of other texts * Unique Chapter (12) Featuring 51 Structure-Solving Problems: Each problem emphasizes a different method; the problems increase in difficulty throughout the chapter, successively building on students' knowledge and requiring them to integrate multiple methods to identify molecules. NEW TO THE SECOND EDITION * Coverage of the Latest Instrumental and Computational Advances: Examines the use of modern instruments, data processing, and computer-assisted structure elucidation techniques * Updated and Expanded Treatment of NMR (Chapters 2-5): An extensively revised Chapter 5 discusses multi-pulse 1D and 2D NMR methods, 1D TOCSY and 1D NOESY sequences, and using NOESY and ROESY in determining relative stereochemistry and solution conformation. * Additional Coverage of Mass Spectrometry: A new chapter (7) expands the discussion of mass spectrometry to three chapters (6-8). Topics include cutting-edge MS instrumentation and new information on tandem MS techniques, combining NMR with MS, large-molecule MS, chemo-informatics, and more. * More Exercises and Improved Spectra: The second edition includes 25% more problems than the previous edition (279 total). In addition, many of the spectra, including all of those presented in Chapters 11 and 12, have been reprocessed or reacquired for greater clarity.

NMR - From Spectra to Structures

An Experimental Approach

Author: Terence N. Mitchell,Burkhard Costisella

Publisher: Springer Science & Business Media

ISBN: 3540721967

Category: Science

Page: 207

View: 5687

This practice-oriented textbook shows how to utilize the huge variety of NMR experiments available today in addition to standard experiments. Intended as a practical guide for students and laboratory personnel, it treats theoretical aspects only to the extent necessary to understand the experiments and to interpret the results. The book is significantly revised and expanded for the 2nd edition, and now includes the nuclei 1H/2H, 13C, 31P, 17O, 15N, 19F, 29Si, 77Se, 113Cd, 117Sn/119Sn, 195Pt, 207Pb and a new chapter on solid state NMR. An expanded set of 50 graded problems offers invaluable help for students, practitioners and laboratory personnel alike.

NMR — Konzepte und Methoden

Author: Daniel Canet

Publisher: Springer-Verlag

ISBN: 3642791220

Category: Science

Page: 245

View: 1846

Daniel Canet hat aus Seminaren und Vorlesungen an der Universität Nancy I die wesentlichen Themen der Kernresonanzspektroskopie ausgewählt. Er stellt die physikalischen Zusammenhänge so dar, daß sich eine große Gruppe für das Buch interessiert: Chemiker, Biochemiker - und auch Mediziner, in deren Diagnostik auch die spektroskopischen Aspekte eine immer größere Rolle spielen. Das Buch ist auf drei Ebenen geschrieben: als Einführung in das physikalische Phänomen, als Lehrbuch für Chemiker nach dem Vordiplom und als eine Darstellung der quantenchemischen Modelle, die zum Verständnis der Spindynamik, der Multipuls- und multidimensionalen Verfahren nötig sind. Hier unterscheidet sich Canets Buch von anderen Einführungen.

Annual Reports on NMR Spectroscopy

Author: Graham A. Webb

Publisher: Elsevier

ISBN: 9780125054485

Category: Science

Page: 212

View: 2443

Nuclear magnetic resonance (NMR) is an analytical tool used by chemists and physicists to study the structure and dynamics of molecules. In recent years, no other technique has grown to such importance as NMR spectroscopy. It is used in all branches of science where precise structural determination is required and where the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a means for the specialist and nonspecialist alike to become familiar with new applications of NMR spectroscopy in all branches of chemistry. Volume 48 carried on the tradition with contributions on: dynamics of polymers from one- and two- dimensional solid state NMR spectroscopy; NMR spectroscopy of large proteins; accurate diagnosis and prognosis of human cancers by protein MRS and a three stage classification strategy; NMR determination of porous media property distributions; and NMR studies of micelles.


Eine Einführung

Author: Helmut G¿nzler,Hans-Ulrich Gremlich

Publisher: John Wiley & Sons

ISBN: 3527662871

Category: Science

Page: 365

View: 2719

Die lange erwartete, vierte Auflage des Lehrbuchklassikers zur IR-Spektroskopie! Will man Substanzen eindeutig charakterisieren und auf ihre Reinheit berpr fen, f hrt kein Weg an der IR-Spektroskopie als Analysemethode vorbei. Pr zise und leicht verst ndlich, aktuell und sehr praxisbezogen lernen die k nftigen Anwender alles, was sie ber die IR-Spektroskopie wissen m ssen: - Aufbau und Handhabung von Spektrometern, - Vorbereitung der Proben und deren Messung, - qualitative Interpretation der Spektren, - quantitative Bestimmungen, - spezielle Anwendungsgebiete und - spezielle und verwandte Methoden. Zahlreiche Hinweise auf weiterf hrende Literatur vermitteln eine gute Orientierung bei speziellen Fragestellungen, und helfen dabei, sich zum Experten weiterzuentwickeln.


Ein Lehrbuch

Author: Jürgen H Gross

Publisher: Springer-Verlag

ISBN: 3827429811

Category: Science

Page: 802

View: 3025

Mit Massenspektrometrie – ein Lehrbuch liegt ein Werk vor, das mit seiner umfassenden, präzisen Darstellung sowie seinen vielen gelungenen Illustrationen und Fotos eine Lücke auf dem deutschsprachigen Markt schließt. Dieses im englischsprachigen Raum bereits gut etablierte Buch führt auf grundlegende Weise an die Massenspektrometrie heran, indem es die Prinzipien, Methoden und Anwendungen logisch aufeinander aufbauend erklärt. Schritt für Schritt lernt der Leser, was diese analytische Methode leisten kann, auf welch vielfältige Art Massenspektrometer isolierte Ionen in der Gasphase erzeugen, selektieren und manipulieren können und wie man aus den resultierenden Massenspektren analytische Information gewinnt. Moderne sanfte Ionisationsmethoden wie ESI, APCI oder MALDI, klassische Verfahren wie EI, CI, FAB oder FD, Oberflächentechniken wie DESI oder DART und elementmassenspektrometrische Verfahren werden didaktisch durchdacht behandelt. Studienanfänger werden von dem Werk ebenso profitieren wie Fortgeschrittene und Praktiker. Ergänzend zum Buch betreibt der Autor eine frei zugängliche (englischsprachige) Internetseite mit zahlreichen Übungsaufgaben, Lösungen und Bonus-Material unter

Organic Chemistry I For Dummies

Author: Arthur Winter

Publisher: John Wiley & Sons

ISBN: 1118828135

Category: Science

Page: 408

View: 548

Organic Chemistry I For Dummies, 2nd Edition (9781118828076) is now being published as Organic Chemistry I For Dummies, 2nd Edition (9781119293378). While this version features an older Dummies cover and design, the content is the same as the new release and should not be considered a different product. The easy way to take the confusion out of organic chemistry Organic chemistry has a long-standing reputation as a difficult course. Organic Chemistry I For Dummies takes a simple approach to the topic, allowing you to grasp concepts at your own pace. This fun, easy-to-understand guide explains the basic principles of organic chemistry in simple terms, providing insight into the language of organic chemists, the major classes of compounds, and top trouble spots. You'll also get the nuts and bolts of tackling organic chemistry problems, from knowing where to start to spotting sneaky tricks that professors like to incorporate. Refreshed example equations New explanations and practical examples that reflect today's teaching methods Fully worked-out organic chemistry problems Baffled by benzines? Confused by carboxylic acids? Here's the help you need—in plain English!

NMR Spectroscopy in Liquids and Solids

Author: Vladimir I. Bakhmutov

Publisher: CRC Press

ISBN: 148226272X

Category: Medical

Page: 360

View: 7513

NMR Spectroscopy in Liquids and Solids provides an introduction of the general concepts behind Nuclear Magnetic Resonance (NMR) and its applications, including how to perform adequate NMR experiments and interpret data collected in liquids and solids to characterize molecule systems in terms of their structure and dynamics. The book is composed of ten chapters. The first three chapters consider the theoretical basis of NMR spectroscopy, the theory of NMR relaxation, and the practice of relaxation measurements. The middle chapters discuss the general aspects of molecular dynamics and their relationships to NMR, NMR spectroscopy and relaxation studies in solutions, and special issues related to NMR in solutions. The remaining chapters introduce general principles and strategies involved in solid-state NMR studies, provide examples of applications of relaxation for the determination of molecular dynamics in diamagnetic solids, and discuss special issues related to solid state NMR— including NMR relaxation in paramagnetic solids. All chapters are accompanied by references and recommended literature for further reading. Many practical examples of multinuclear NMR and relaxation experiments and their interpretations are also presented. The book is ideal for scientists new to NMR, students, and investigators working in the areas of chemistry, biochemistry, biology, pharmaceutical sciences, or materials science.