NMR Data Interpretation Explained: Understanding 1D and 2D NMR Spectra of Organic Compounds and Natural Products

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Through numerous examples, the principles of the relationship between chemical structure and the NMR spectrum are developed in a logical, step-by-step fashion
  • Includes examples and exercises based on real NMR data including full 600 MHz one- and two-dimensional datasets of sugars, peptides, steroids and natural products
  • Includes detailed solutions and explanations in the text for the numerous examples and problems and also provides large, very detailed and annotated sets of NMR data for use in understanding the material
  • Describes both simple aspects of solution-state NMR of small molecules as well as more complex topics not usually covered in NMR books such as complex splitting patterns, weak long-range couplings, spreadsheet analysis of strong coupling patterns and resonance structure analysis for prediction of chemical shifts
  • Advanced topics include all of the common two-dimensional experiments (COSY, ROESY, NOESY, TOCSY, HSQC, HMBC) covered strictly from the point of view of data interpretation, along with tips for parameter settings
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About the author

Neil E. Jacobsen has been the NMR Facility Manager in the Department of Chemistry and Biochemistry at the University of Arizona for the last 20 years. He teaches an undergraduate course in NMR Spectroscopy (Organic Qualitative Analysis) using a series of unknowns including monoterpenes and steroids, with students acquiring their own 400 MHz 1D and 2D NMR data. He also teaches a graduate course in Organic Synthesis and NMR Spectroscopy that is focused on using the spectrometers and interpreting complex NMR data. He has 30 years of experience working in the field of NMR spectroscopy, and during that time he has authored 46 publications in peer-reviewed journals as well as the 2007 Wiley book NMR Spectroscopy Explained.

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Additional Information

Publisher
John Wiley & Sons
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Published on
Oct 21, 2016
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Pages
648
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ISBN
9781119047148
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Best For
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Language
English
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Genres
Science / Chemistry / General
Science / Spectroscopy & Spectrum Analysis
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Content Protection
This content is DRM protected.
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This text is aimed at people who have some familiarity withhigh-resolution NMR and who wish to deepen their understanding ofhow NMR experiments actually ‘work’. This revised andupdated edition takes the same approach as the highly-acclaimedfirst edition. The text concentrates on the description ofcommonly-used experiments and explains in detail the theory behindhow such experiments work. The quantum mechanical tools needed toanalyse pulse sequences are introduced set by step, but theapproach is relatively informal with the emphasis on obtaining agood understanding of how the experiments actually work. The use oftwo-colour printing and a new larger format improves thereadability of the text. In addition, a number of new topics havebeen introduced: How product operators can be extended to describe experimentsin AX2 and AX3 spin systems, thus making it possible to discuss theimportant APT, INEPT and DEPT experiments often used in carbon-13NMR.Spin system analysis i.e. how shifts and couplings can beextracted from strongly-coupled (second-order) spectra.How the presence of chemically equivalent spins leads tospectral features which are somewhat unusual and possiblymisleading, even at high magnetic fields.A discussion of chemical exchange effects has been introducedin order to help with the explanation of transverserelaxation.The double-quantum spectroscopy of a three-spin system is nowconsidered in more detail.

Reviews of the First Edition

“For anyone wishing to know what really goes on in theirNMR experiments, I would highly recommend this book” –Chemistry World

“…I warmly recommend for budding NMRspectroscopists, or others who wish to deepen their understandingof elementary NMR theory or theoretical tools” –Magnetic Resonance in Chemistry

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