3D-Printing Electron Density Isosurface Models and High-Resolution Molecular Models Based on van der Waals Radii

Abstract

3D printing was used to prepare space-filling models of electron density isosurfaces and high-resolution molecular models on the basis of the van der Waals radii of atoms. Both model types provide students with kinesthetic simulations of steric effects in bimolecular substitution and elimination reactions. The models can be printed in small sizes for individual student use or large sizes for classroom demonstrations. These space-filling models can also enable visually impaired students to experience tangible representations of theoretical surfaces.

Visualization without Vision – How Blind and Visually Impaired Students and Researchers Engage with Molecular Structures

“…In chemistry classrooms, 3D printing can change how molecular structure is taught (e.g., https://youtu.be/sSAz_r5gIc4, accessed 7 November 2018); (Anderson, 2017;Brauner, 2018;Pinger, Geiger, & Spence, 2019). In recent years, 3D-printed models related to chemistry have been reported: for example, small molecules (Wieren et al, 2017), extended molecular structure representations (Figure 1) (Rossi et al, 2015), electron density isosurface models (Grumman & Carroll, 2019), solid state crystal structures (Kitson et al, 2014;Stone-Sundberg, Kaminsky, Snyder, & Moeck, 2015;P. A.…”

How Should Chemistry Educators Respond to the Next Generation of Technology Change?

“…Even though this was the first time many of these students worked with 3D printing, the overall results were encouraging. Grumman and Carroll had their students use 3D printing to create space-filling models of electron-density iso-surface models and high-resolution molecular models [22] and Blauch and Carroll have used 3D printing to create potential energy surfaces for the teaching of structure-energy relationships [23]. Three-dimensional printing can help people who are blind or partially sighted to visualize three-dimensional objects, like complex molecules, by handling the models.…”

3D printing lifts the lid on black box instruments

“…The use of additive manufacturing (3D printing) in educational contexts has grown exponentially in the past several years [1][2][3]. Within the educational community, 3D printing has two primary forms: usable laboratory equipment/experiments [4][5][6][7][8][9][10][11], and in-class demonstrations/models, including orbitals [12,13], surfaces [14,15], molecular models [16][17][18], biological molecules [19][20][21], and data visualization [22,23]. While numerous laboratory examples have demonstrated the analytical use of 3D printing in the educational laboratory, little work has been demonstrated in the literature for analytical educational aids.…”