Undergraduate students are typically introduced to the tools of molecular structure determination in Organic Chemistry.  Students who complete Organic Chemistry learn the basics of 1D <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy, infrared (IR) spectroscopy and mass spectrometry.  However, deeper knowledge is needed of these techniques for students to utilize these tools for the determination of molecular structure.  This talk discusses the development of an upper-division elective course that focuses on the applications of NMR spectroscopy, mass spectrometry and X-ray crystallography in structure determination.  Over half of the course is dedicated to NMR spectroscopy.  Topics range from an in-depth exploration of 1D and 2D experimental methods, solid-state NMR spectroscopy, 3D experiments in protein structure determination, heteronuclear NMR spectroscopy and paramagnetic NMR spectroscopy.  In an accompanying lab, students get both synthetic lab experience and hands on experience with a 400 MHz NMR spectrometer.  Students learn to independently run their own 1D and 2D experiments to determine the structures of unknown compounds and reaction mixtures.  The course exposes students to advanced topics at an undergraduate level, allowing them to explore areas of Chemistry they are not yet aware of.  The course offers a survey of NMR methods to help students see the wide breadth of the application of NMR spectroscopy across Chemistry disciplines.

Development of a molecular structure determination course

ACS Spring 2022

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