Controlling and predicting alkyl-onium electronic structure

Article

Towers Tompkins, F. K., Parker, L. G., Fogarty, R. M., Seymour, J. M., Gousseva, E., Grinter, D. C., Palgrave, R. G., Smith, C. D., Bennett, R. A., Matthews, R. and Lovelock, K. R. J. 2024. Controlling and predicting alkyl-onium electronic structure. Chemical Communications. p. In Press. https://doi.org/10.1039/D4CC03388D
AuthorsTowers Tompkins, F. K., Parker, L. G., Fogarty, R. M., Seymour, J. M., Gousseva, E., Grinter, D. C., Palgrave, R. G., Smith, C. D., Bennett, R. A., Matthews, R. and Lovelock, K. R. J.
Abstract

X-ray photoelectron spectroscopy (XPS) and ab initio calculations show that fully alkylated onium cation electronic structure can be tuned using both the alkyl chains and the central onium atom. The key for tuning the central onium atom is methyl versus longer alkyl chains, allowing selection of the optimum cation for a wide range of applications, including catalysis and biocides.

JournalChemical Communications
Journal citationp. In Press
ISSN1359-7345
Year2024
PublisherThe Royal Society of Chemistry
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Anyone
Digital Object Identifier (DOI)https://doi.org/10.1039/D4CC03388D
Publication dates
Online16 Aug 2024
Publication process dates
Accepted12 Aug 2024
Deposited19 Sep 2024
Copyright holder© 2024
Additional information

The data underlying this study are openly available in the University of Reading Research Data Archive at https://doi.org/10.17864/1947.001349. Analysed data supporting this article have been included as part of the ESI.

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