ArticleChemistry (Weinheim an der Bergstrasse, Germany)2021
Mechanochemically Triggered Topology Changes in Expanded Porphyrins.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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7 citing papers in PubMed.
- Computational Exploration of Polymer Mechanochemistry: Quantitation of Activation Force and Systematic Discovery of Reaction Sites by the Extended Artificial Force-Induced Reaction Method.Journal of the American Chemical Society · 2025Article
- "Node" facilitated thermostable mechanophores for rapid self-strengthening in double network materials.Chemical science · 2025Article
- Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches.Molecules (Basel, Switzerland) · 2023Article
- Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins.Chemistry (Weinheim an der Bergstrasse, Germany) · 2023Article
- Luminescent Möbius Strip of a Flexible Halogen-Bonded Cocrystal Evolved from Ring and Helix.JACS Au · 2022Article
- Extending conceptual DFT to include external variables: the influence of magnetic fields.Chemical science · 2022Article
- Mechanochemically Triggered Topology Changes in Expanded Porphyrins.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
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6 authors.
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Abstract
A hitherto unexplored class of molecules for molecular force probe applications are expanded porphyrins. This work proves that mechanical force is an effective stimulus to trigger the interconversion between Hückel and Möbius topologies in [28]hexaphyrin, making these expanded porphyrins suitable to act as conformational mechanophores operating at mild (sub-1 nN) force conditions. A straightforward approach based on distance matrices is proposed for the selection of pulling scenarios that promote either the planar Hückel topology or the three lowest lying Möbius topologies. This approach is supported by quantum mechanochemical calculations. Force distribution analyses reveal that [28]hexaphyrin selectively allocates the external mechanical energy to molecular regions that trigger Hückel-Möbius interconversions, explaining why certain pulling scenarios favor the Hückel two-sided topology and others favor Möbius single-sided topologies. The meso-substitution pattern on [28]hexaphyrin determines whether the energy difference between the different topologies can be overcome by mechanical activation.
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