ACD/NMR Predictors Bridge the Gap in Teaching

Dr Lyle Isaacs Analytical Course—Teaching Materials

Dr Lyle Isaacs, a chemistry professor at the University of Maryland, teaches a course on analytical chemistry to senior undergraduates and first year graduate students. Lyle uses ACD/NMR Predictors to generate problem sets that complement his lectures. Each problem includes a set of NMR experiments (1H, 13C, DEPT, COSY, HSQC, and HMBC) with expansions, the related structure with full stereochemistry, and a structure fully assigned with chemical shifts (the answers).

Lyle has 2 lectures on theory and applications of analytical chemistry a week where he also works through some problems. He then sets problems for students for the third weekly class. In that class, students present their solutions. The spectral data is used in two ways:

  • Students are provided with NMR data and a molecular formula, and from it elucidate the chemical structure—they can get additional analytical information such as IR spectra and supplementary data from their assigned textbooks Lambert1 and Smith2.
  • Students are provided with both the spectra and structure, and must fully assign all chemical shifts.

"From a teaching perspective the prediction software is wonderful because I can provide students with challenging problems, and a full set of NMR data. It’s also been good for the students to see more complex problems than are available from the literature. They can get a real idea of how to work through them and develop the skills they’ll need once they join the workforce."
Dr. L. Isaacs, U. of Maryland

Lyle has provided 42 problem sets he has built over the years for other educators to use.

Download an Example Problem
Request the full set Dr. Isaacs' NMR Problems

Dr. Lyle Isaacs would like to acknowledge the support of the National Science Foundation (Grant CHE-0615049).

1. "Organic Structural Spectroscopy" by Lambert, Shurvell, Lightner and Cooks (Prentice Hall).
2. http://www.nd.edu/~smithgrp/structure/workbook.html