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Organic Spectroscopy presents the derivation of structural information from UV, IR, Raman, 1H NMR, 13C NMR, Mass and ESR spectral data in such a way that stimulates interest of students and researchers alike. The application of spectroscopy for structure determination and analysis has seen phenomenal growth and is now an integral part of Organic Chemistry courses. This book provides: -A logical, comprehensive, lucid and accurate presentation, thus making it easy to understand even through self-study; -Theoretical aspects of spectral techniques necessary for the interpretation of spectra; -Salient features of instrumentation involved in spectroscopic methods; -Useful spectral data in the form of tables, charts and figures; -Examples of spectra to familiarize the reader; -Many varied problems to help build competence ad confidence; -A separate chapter on ‘spectroscopic solutions of structural problems’ to emphasize the utility of spectroscopy. Organic Spectroscopy is an invaluable reference for the interpretation of various spectra. It can be used as a basic text for undergraduate and postgraduate students of spectroscopy as well as a practical resource by research chemists. The book will be of interest to chemists and analysts in academia and industry, especially those engaged in the synthesis and analysis of organic compounds including drugs, drug intermediates, agrochemicals, polymers and dyes.
"Spectroscopy has become the organic chemist's most important tool in identifying compounds and studying their interactions. The arsenal of techniques available to the research chemist has, over the years, expanded from the familiar infrared, proton nmr and mass spectroscopy, to include the routine use of carbon-13 nmr spectroscopy and such modern methods of data acquisition as Fourier transform nmr, laser Raman spectroscopy, and UV spectroscopy. This book serves as an introduction to all of the major spectroscopic techniques, using over 200 actual spectra as examples, and providing a substantial number of problems and completely worked-through solutions that demonstrate how spectral techniques are applied to analytical problems. The book represents a significant departure from the scope of general spectroscopy texts. In addition to the usual chapters on infrared, proton nmr and mass spectroscopy, a number of increasingly important techniques have been included for the first time. Chapter 4, for instance, introduces not only the analysis of proton nmr spectra, but also describes iteration of theoretical nmr spectra for a best fit with observed experimental spectra using the popular LAOCOON III program. A complete FORTRAN listing for a conversational pendix I. Chapter 5 presents a non-mathematical description of Fourier transform nmr, including signal averaging, decoupling methods, quadrature detection, and the Fourier transform itself, and Chapter 6 goes on to describe Fourier transform techniques in carbon-13 spectroscopy. Chapter 7 introduces simple Huckel M.O. theory and the SHMO program for calculating the resonance stabilization of various systems, material which lays the groundwork for Chapter 8's discussion of ultraviolet spectroscopy using examples of ways in which energies can be correlated with SHMO parameters. A SHMO timesharing conversational program is listed in Appendix II. Finally, Chapter 10 outlines the organic chemical applications of laser Raman spectroscopy and the functional groups most easily identified using this method. Both organic chemists and graduate and advanced undergraduate students will find in the book's breadth of coverage an ideal introduction to the identification of organic compounds by spectroscopic means."- Publisher.
A unique textbook, aimed at undergraduate students, containing large numbers of spectra, problems and marginal notes, specifically chosen to highlight the points being discussed.
Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.
Clearly structured, easy to read and optimal to understand, this extensive compendium fills the gap between textbooks devoted to either spectra interpretation or basic physical principles. The original Chinese editions have already sold over 18,500 copies, and the material is taken from the latest literature from around the world, plus technical information provided by the manufacturers of spectroscopic instruments. Alongside basic methods, Professor Ning presents up-to-date developments in NMR, MS, IR and Raman spectroscopy, such as pulsed-field gradient technique, LC-NMR, and DOSY. He stresses the application of spectroscopic methods, interpreting them in great detail and depth since most of the selected spectra may be applied to practical work, as well as summarizing the rules for their interpretation. He also incorporates his original ideas, including a comparison of the common points in different spectroscopic techniques. This monograph features a unique structure, a typical example being the discussion of 2D NMR starting from pulse sequence units, which construct various pulse sequences for related 2D NMR. A complete chapter deals with the determination of configurations and conformations of organic compounds and even biological molecules from the viewpoint of spectroscopic methodologies, while one whole section is dedicated to the interpretation of mass spectra produced by soft ionization techniques. The principles of mass analyzers, especially the ion trap, are discussed in great depth, together with a concise summary of the MS fragmentation and rearrangement of common compounds, allowing readers to easily predict related mass spectrometric reactions. All the three kinds of library retrieval of mass spectra are presented in detail, together with recent developments in molecular vibration spectroscopy. The whole is rounded off with several appendices, including a subject index for rapid reference. With a foreword by the Nobel prizewinner, Richard R. Ernst.
"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." --Book Jacket.
Spectroscopy is used in physical and analytical chemistry for the identification of substances through the spectrum emitted from or absorbed by them. The derivation of structural information from spectroscopic data is now an integral part of many courses in chemistry and related subjects at most universities. This workbook: Features exercises to help develop the student's understanding of how structures are determined from spectra and to promote the student's own interpretation of different spectra. Covers a large range of spectroscopic data, including mass spectrometry, infrared and 1H and 13C nuclear magnetic resonance, typically used in the routine analysis of small-sized organic molecules. Presents in full-color, in a workbook-friendly format the spectra for interpretation with explanations and analyses on the facing page. Related to the workbook the authors have an online resource of the problems featured in the workbook, available at: htttp://spectros.unice.fr/ By using the print edition alongside the online spectra, students will be able to enhance their understanding of the interpretation of multiple spectra.
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.