CHEM 6612 - Molecular Structure Determination

Prerequisites: evidence of mastery of the concepts of organic chemistry and of proficiency in the basic spectroscopies. Equivalent university undergraduate prerequisite courses are CHEM 2202 and CHEM 2221. This course focuses on the use of NMR methods and mass spectral data to elucidate structures of small to medium size organic molecules, with an emphasis on pharmacologically active compounds and synthetic intermediates. Extensive interpretation of NMR data obtained for routine active nuclei in single and multi-dimensional experiments. Methods will include 1H mapping, COSY, NOE, 13C DEPT series, and other modern experiments. Utilization of low- and high-resolutin mass spectral data will accompany explanations of the processes for the selection of a method of acquisition to be used to obtain structure information. Discussion of various sample introduction methods: LC, GC, DIP, maldi, and ionization techniques. The course also includes a review of the supporting spectroscopies and x-ray crystallography to culminate in developing an understanding of chemical structure determination as relevant to molecular structure identification and mixture evaluation. 3 credits.