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

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 spectraContains 30 known and 30 unknown structure determination problemsFeatures 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

PART I: Background and Methods 1. Introduction 2. Instrumental Considerations 3. Data Collection, Processing, and Plotting 4. 1H and 13C Chemical Shifts 5. Symmetry and Topicity 6. Through-Bond Effects: Spin-Spin (J) Coupling 7. Through-Space Effects: the Nuclear Overhauser Effect (NOE) 8. Molecular Dynamics 9. Strategies for Assigning Molecules 10. Strategies for Elucidating Unknown Molecular Structures

PART II: Problems 11. Simple Assignment Problems 12. Complex Assignment Problems 13. Simple Unknown Problems 14. Complex Unknown Problems 15. NMR Resonance Assignment Problems 16. NMR Unknown Problems