Work

Combining Predicted, Calculated, and Hands-On NMR Spectra to Enhance Instruction of Molecular Structure in Organic Chemistry

Year: 2025

Type: article

Abstract: NMR prediction using ChemDoodle, NMR calculation with Gaussian, and hands-on data collection using a benchtop NMR spectrometer were explored to assess their synergistic capacity in teaching NMR to organic chemistry students. Nine molecules representing functional groups commonly encountered in undergraduate organic chemistry were selected. Spectra obtained using each of the three methods were incorporated into a laboratory exercise where students utilized all methods to learn about NMR. Our approach combines experimental work with both an approximation and theoretical calculation providing students with a more comprehensive understanding. Ultimately, students learned how to perform NMR spectroscopy and how different computational tools can approach the problem in fundamentally different ways as outlined below. Our qualitative analysis reveals that students engaged in higher order thinking skills and reported several benefits to their learning.

Source: Journal of Chemical Education

DOI: 10.1021/acs.jchemed.4c01565

Authors: Larry Collins, Alexis R. Hartley, Christopher T. Jurgenson

Institutions: Longwood University, Delta State University, Delta State University

Language: English

Topic: Various Chemistry Research Topics

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

SDG: Quality education

Open Access status: hybrid

Estimated APC paid: $4,500