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Updated: Jun 4, 2025

Interactive Molecular Model Assembly with 3D Printing
Published on: August 13, 2020
Conservation of structure and dynamic behavior in triazine macrocycles with opportunities for subtle control of hinge
Casey Patterson-Gardner1, Hongjun Pan2, Benjamin G Janesko1
1Department of Chemistry & Biochemistry, Texas Christian University, Fort Worth, TX 76129, USA. e.simanek@tcu.edu.
Abstract:
Modifying the backbone of 24-atom macrocycles allows tailoring of physical properties (octanol-water partition coefficients, log P) while conserving both conformation and the barrier to dynamic, hinge-like motion. Structure is determined by 1D and 2D NMR spectroscopy. The barrier can be subtly tuned by modifications that appear to preclude fully revolute motion and efficient π-stacking of the two subunits. The log P values increase as expected across this series, and the correlation between computed and observed values reinforces the belief of common structure and behavior across this class of macrocycles.
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