A New Topological Class of Interlocked and Interwoven Nanocarbons via Dynamic C-C Bond Formation

19 March 2024, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Topologically complex molecules are poised to play a crucial role in the future of materials science, providing control over entanglement at the smallest possible scale. Discovery of new topological constructs and robust strategies for their synthesis are central to expanding the field. Here a new topological class of molecules, named perplexanes, are identified that contain an unusual combination of interlocking and interweaving that defies traditional topological descriptors. Two nanocarbon perplexanes are rationally synthesized in high yield using reversible zirconocene coupling of alkynes. This dynamic C-C bond formation facilitates entanglement under thermodynamic control, enabling the use of simple precursors without the need for strong templating or preassembly. This provides a new toolkit for assembling topologically complex nanocarbons that should be generalizable to a wide range of other topologies.

Keywords

Dynamic Covalent Chemistry
Topology
Nanocarbons
Molecular Knots
PAHs

Supplementary materials

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Description
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Supporting Information
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All materials, methods, and supporting experiments for the findings in the main text.
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1-Zr.cif
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Crystallographic Information Framework File for 1-Zr
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2-Zr.cif
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Crystallographic Information Framework File for 2-Zr
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3-Zr.cif
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Crystallographic Information Framework File for 3-Zr
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