Organic Structure Determination Using 2-D NMR Spectroscopy

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

Jeffrey H Simpson, PhD, was Director of the Instrumentation Facility in the Department of Chemistry at M.I.T. from 2006 to 2017. Dr. Simpson's career in NMR/instrumentation research and instruction spans 20 years, and he has authored an introductory text on the subject of NMR as well as publishing a number of peer-reviewed articles. He is one of the Founding Members of the New England NMR Society and served as VP from its inception to 2017. He currently is a faculty member in the Department of Chemistry at the University of Richmond.

"I like [the book] a lot. Books that cover theory in depth AND lots of problems are (surprisingly) rare."--Steven M. Graham, St. John's University "The abundance of problems and highly detailed glossary are especially noteworthy; the quality of the spectrum presentations is excellent [...] Overall organization works well, and the layout and other 'production values' are what one has long come to expect from [Academic Press]."--Barry Shapiro "When trying to explain two-dimensional nuclear magnetic resonance (NMR) spectroscopy, one may strive to avoid two pitfalls: getting bogged down in the mathematics behind the technique, or skipping the mathematics altogether and by default making the technique a "magic box." In his book, Simpson (MIT) has nearly done the impossible, covering two-dimensional NMR without slipping into either of those problems. Starting off with the instrumental setups and working through topics such as pulse sequences and spectral interpretation, this book gives readers all that they will need to prepare, run, and interpret a 2-D NMR experiment. This work would be useful for anyone who is currently using 2-D NMR and is a must for newcomers to the technique. Simpson provides almost 100 spectra to interpret as exercises, which make this volume an ideal teaching tool for 2-D NMR spectroscopy. Summing Up: Essential. Upper-division undergraduate through professional collections."-- S. S. Mason, Mount Union College writing CHOICE April 2009 "[T]his book achieves what it sets out in its title. It is a balanced text covering both theoretical and practical aspects of NMR spectroscopy. The first seven chapters give a comprehensive discussion of the relevant theories and practical considerations in the use of NMR spectroscopy for organic structure determination. The later chapters delve into strategies for organic structure determination and provide complex and simple assignment and identification problems, representing the most common applications of 2D NMR.

"I like [the book] a lot. Books that cover theory in depth AND lots of problems are (surprisingly) rare." --Steven M. Graham, St. John's University "The abundance of problems and highly detailed glossary are especially noteworthy; the quality of the spectrum presentations is excellent [...] Overall organization works well, and the layout and other 'production values' are what one has long come to expect from [Academic Press]." --Barry Shapiro

"When trying to explain two-dimensional nuclear magnetic resonance (NMR) spectroscopy, one may strive to avoid two pitfalls: getting bogged down in the mathematics behind the technique, or skipping the mathematics altogether and by default making the technique a "magic box." In his book, Simpson (MIT) has nearly done the impossible, covering two-dimensional NMR without slipping into either of those problems. Starting off with the instrumental setups and working through topics such as pulse sequences and spectral interpretation, this book gives readers all that they will need to prepare, run, and interpret a 2-D NMR experiment. This work would be useful for anyone who is currently using 2-D NMR and is a must for newcomers to the technique. Simpson provides almost 100 spectra to interpret as exercises, which make this volume an ideal teaching tool for 2-D NMR spectroscopy. Summing Up: Essential. Upper-division undergraduate through professional collections." -- S. S. Mason, Mount Union College writing CHOICE April 2009