Title:Visualization of Hyperconjugation and Subsequent Structural Distortions through 3D Printing of Crystal Structures
Volume: 13
Issue: 4
Author(s): Farha J. Mithila, Stephanie Oyola-Reynoso, Martin M. Thuo and Manza B.J. Atkinson
Affiliation:
Keywords:
3D printing, crystallography, hyperconjugation, modeling, norbornene, stereo-electronic.
Abstract: Background: Structural distortions due to hyperconjugation in organic molecules, like norbornenes,
are well captured through X-ray crystallographic data, but are sometimes difficult to visualize
especially for those applying chemical knowledge and are not chemists.
Methods: Crystal structure from the Cambridge database were downloaded and converted to .stI format.
The structures were then printed at the desired scale using a 3D printer.
Results: Replicas of the crystal structures were accurately reproduced in scale and any resulting distortions were clearly
visible from the macroscale models. Through space interactions or effect of through space hyperconjugation was illustrated
through loss of symmetry or distortions thereof.
Conclusion: The norbornene structures exhibits distortion that cannot be observed through conventional ball and stick
modelling kits. We show that 3D printed models derived from crystallographic data capture even subtle distortions in
molecules. We translate such crystallographic data into scaled-up models through 3D printing.