Hussein, Burhan A., Maturi, William, Rylands, Mary Kate et al. (6 more authors) (2024) Correlated shapeshifting and configurational isomerization. Chemical Science. pp. 14618-24. ISSN 2041-6539
Abstract
Herein we demonstrate that the rapid ‘shapeshifting’ constitutional isomerization of a substituted bullvalene is influenced by the E to Z configurational isomerization of a remote carbamate group, giving rise to correlated motion. We find that, while the E configurational isomer of a bulky carbamate favors the β-bullvalene constitutional isomer, a noncovalent bonding interaction within the Z carbamate tips the equilibrium toward the γ-bullvalene form. Using DFT modelling and NMR spectroscopy, this long-range interaction is identified as being between the bullvalene core and a pendant phenyl group connected to the carbamate. Coupling the constitutional changes of a bullvalene to a reciprocal configurational isomerization through a long-range interaction in this way will allow shapeshifting rearrangements to be exploited as part of collective motion in extended structures.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2024 The Author(s). |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) |
Depositing User: | Pure (York) |
Date Deposited: | 28 Aug 2024 09:20 |
Last Modified: | 21 Jan 2025 18:14 |
Published Version: | https://doi.org/10.1039/D4SC03699A |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1039/D4SC03699A |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:216434 |
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Description: Correlated shapeshifting and configurational isomerization
Licence: CC-BY 2.5