During the spring semester 2009 Dr. Schroeder teaches CHEM625/CHEM6250. Main topic is the application of NMR spectroscopy and mass spectrometry to analytical problems in organic chemistry, chemical biology, and biochemistry. Emphasis is placed on small to mid-sized molecules - the range of molecular sizes organic chemists typically deal with; however, NMR-spectroscopic and MS techniques suitable for characterizing macromolecules will also be discussed briefly. My goal is to demonstrate the considerable power and versatility of these spectroscopic techniques and enable you to use these techniques with maximum benefit for your research. Therefore, the course uses many examples from the current literature, including organic synthesis, natural products, chemical biology, and polymer chemistry examples.
Because effective processing especially of two-dimensional NMR data is essential for proper analysis, this course includes an introduction to MNOVA, an NMR software package likely to become the standard tool for analyzing one- and two-dimensional spectra of organic compounds. All participants of the course will obtain licenses for MNOVA, and processing and analysis of one- and two dimensional spectra using this software will constitute an important part of in-class demonstrations and homework. In addition, the course will cover basic Varian VNMR/VNMRJ commands for setting up 1D and 2D spectra.
The software package MNOVA (formerly MestReC, compatible with both Macintosh and Windows computers) is now available for users of the Cornell NMR facility. If you are a registered user of the NMR facility and would like to use MNOVA, please contact Ivan Keresztes at firstname.lastname@example.org. More information on MNOVA can be found at www.mestrec.com.
The NMR part of the course will be based largely on the excellent texts High-Resolution NMR Techniques in Organic Chemistryby Timothy D. W. Claridge and Basic One- and Two-Dimensional NMR Spectroscopy by Horst Friebolin. My personal favorite is the book by Tim Claridge, because it provides much more in terms of examples and detail for using two-dimensional techniques in Organic Chemistry. The text by Friebolin includes a very thorough description of the basic concepts of NMR spectroscopy, but lacks detail when discussing two-dimensional spectra. For the mass spectrometry-related part of the course we will primarily rely on handouts; those of you with a deeper interest in mass spectrometry should consider the textbook Interpretation of Mass Spectra by F. W. McLafferty & F. Tureček.
Other texts worth looking at include:
Organic Structure Analysis by Phillip Crews, Jamie Rodriguez, Marcel Jaspers
(Many examples for solving structures)
Structure Determination of Organic Compounds: Tables of Spectral Data by E. Pretsch, P.
Buhlmann and C. Affolter
(Highly useful listings of NMR/MS/IR/UV spectral data).