Organic Structure Determination Using 2-D NMR Spectroscopy: A Problem-Based Approach - Softcover

Simpson, Jeffrey H.

Softcover

ISBN 10: 0123849705 ISBN 13: 9780123849700

Publisher: Academic Press, 2012

Synopsis

Organic Structure Determination Using 2-D NMR Spectroscopy: A Problem-Based Approach, Second Edition, is a primary text for a course in two-dimensional (2-D) nuclear magnetic resonance (NMR) techniques, with the goal to learn to identify organic molecular structure. It presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra.

The book begins with a discussion of the NMR technique, while subsequent chapters cover instrumental considerations; data collection, processing, and plotting; chemical shifts; symmetry and topicity; through-bond effects; and through-space effects. The book also covers molecular dynamics; strategies for assigning resonances to atoms within a molecule; strategies for elucidating unknown molecular structures; simple and complex assignment problems; and simple and complex unknown problems. Each chapter includes problems that will enable readers to test their understanding of the material discussed. The book contains 30 known and 30 unknown structure determination problems. It also features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing.

This book will stand as a single source to which instructors and students can go to obtain a comprehensive compendium of NMR problems of varying difficulty.

• Presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra
• Contains 30 known and 30 unknown structure determination problems
• Features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing

About this title

Review

Excerpt on Molecular Dynamics from Organic Structure Determination Using 2-D NMR Spectroscopy, 2nd Edition

Molecular dynamics covering a wide range of time scales produce an array of effects in NMR spectroscopy. In large molecules, motion in different segments of a molecule may yield measurably distinct relaxation times, thus allowing us to differentiate between signals from different parts of a molecule. Conformational rearrangements can change both the chemical shifts of NMR-active nuclei and the J-couplings observed between various spins. Rapid molecular motions average shifts and/or J-couplings, whereas slower motions may make discovering the underlying mechanistic motions difficult. In many cases, molecular motion and chemical exchange may give broad NMR lines devoid of coupling information. Read full text of this chapter (PDF).

Sample Problem 1
Problem 15.2 (1S*, 4S*, 10S*)-1-Ethyl-4-(hydroxyethyl)quinolizidine in CDCl3 (Sample 106) (PDF).
Sample Courtesy of Shaun Fontaine and Rick Danheiser

Sample Problem 2
Problem 15.6 Brucine in CDCl3 (Sample 113) (PDF).

From the Back Cover

Ideal for advanced undergraduate and graduate courses in organic spectroscopy, this book provides the analytical skills and methodologies needed to assign nuclear magnetic resonances to known and unknown molecular structures. Part I covers the essential knowledge―along with worked examples―synthetic organic chemists should possess to understand and apply NMR in their research. Part II presents a comprehensive selection of 40 problems (20 knowns and 20 unknowns), consisting of 1H and 13C 1-D spectra plus multiple 2-D spectra.

While most books on the subject focus on mathematically rigorous treatments, this text balances rigor with guidance, providing novice and experienced chemists with the tools needed to understand and interpret 2-D NMR spectra.
· Optimizes workflow by presenting strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra
· Improves analytical and interpretation skills through the use of extensive examples and problem-solving techniques
· Enhances understanding through detailed explanations of key concepts, including an extensive glossary

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Edition details

• Publisher: Academic Press
• Publication date: 2012
• ISBN 10: 0123849705
• ISBN 13: 9780123849700
• Binding: Paperback
• Language: English
• Edition number: 2
• Number of pages: 540