What question did this study set out to answer?

The aim is to develop a molecular trefoil knot that can switch conformations through metal coordination.

May 20, 2026Journal of the American Chemical Society0 citations

Conformationally Switchable Molecular Trefoil Knot Assembled From 2,6-Bis(1,2,3-triazol-4-yl)pyridine (btp) Building Blocks

JZJiankang Zhong MZMin Zhang GWGeorge F. S. Whitehead

Key Points

The aim is to develop a molecular trefoil knot that can switch conformations through metal coordination.
Constructed knots using 2,6-bis(1,2,3-triazol-4-yl)pyridine (btp) building blocks.
Investigated the effects of metalation and demetalation on knot conformations.
Studied stabilization mechanisms including π-stacking and hydrogen bonding.
Metalation results in inward-directed btp units, while metal-free conditions show outward rotation.
Stabilization of the metal-bound knot is achieved through pyridine-naphthalene π-stacking.
The reversible switching between conformations is facilitated by clean metalation and demetalation processes.

Abstract

-bound knot the btp units are directed inward to coordinate the metal center, with the strand conformation further stabilized by pyridine-naphthalene π-stacking. In the metal-free knot the btp motifs are rotated outward, with the conformation stabilized by triazole C-H···O hydrogen bonding and naphthalene-naphthalene π-stacking. Reversible metalation and demetalation cleanly interconverts the two knot conformations, establishing btp building blocks as a simple and versatile platform for responsive entangled or woven molecular topologies.

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