Abstract

Visualization of two- dimensional and relaxation NMR spectra can be difficult for students new to the subject. Educators have utilized 3D printing previously to demonstrate concepts such as potential energy surfaces and molecular orbitals, but this technology has yet to be used to create a visual model of NMR data. In order to address this, we have developed an approach for creating 3D printed models of two- dimensional and inversion recovery spectra, which can then be used as an innovative teaching tool. This was done by converting raw FT NMR data into a 3D data graph using Mathematica. This graph is then converted into stereolithography format and printed using a 3D printer. These physical models will allow students to better understand the complex information presented in these NMR spectra.

Department(s)

Chemistry and Biochemistry

Document Type

Article

DOI

https://doi.org/10.1002/cmr.a.21470

Rights Information

© 2019 Wiley Periodicals, Inc.

Keywords

3D printing, data visualization, NMR relaxation, stereolithography, two-dimensional NMR

Publication Date

4-2-2019

Journal Title

Concepts in Magnetic Resonance Part A

Additional Files
2D-NMR Generator.py (2 kB)
2D-NMR Generator
Generate T1 NMR.py (1 kB)
Generate T1 NMR
T1 Model - Mirrored.stl (11971 kB)
T1 Model - Mirrored
TOCSY Gaussian.stl (4637 kB)
TOCSY Gaussian
TOCSY Lorentzian.stl (4461 kB)
TOCSY Lorentzian
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