Journal
JOURNAL OF CHEMICAL EDUCATION
Volume 97, Issue 3, Pages 855-860Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jchemed.9b00498
Keywords
Upper-Division Undergraduate; Organic Chemistry; NMR Spectroscopy; Laboratory Computing/Interfacing; Computer-Based Learning; Problem Solving/Decision Making
Funding
- University of Toronto Scarborough
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Structure determination via NMR spectroscopy is a fundamental topic taught in many advanced level chemistry courses. Despite its importance as an analytical instrument, many students find the principle behind NMR-facilitated structure determination difficult to embrace. To this end, an artificial intelligence (AI) software package, namely, ACD/Structure Elucidator, is used to facilitate the teaching of NMR spectroscopic principles and its application in de novo structure elucidation of large complex organic molecules in an upper level organic chemistry class. For the purpose of this technology report, a set of standard multidimensional NMR spectra of quinidine will be used as an example, illustrating to students the potential of computer-assisted structure elucidation (CASE) as a tool for better understanding NMR spectra.
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