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
| Authors | 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. |
|---|---|
| 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. |
| Journal | Chemical Communications |
| Journal citation | p. In Press |
| ISSN | 1359-7345 |
| Year | 2024 |
| Publisher | The Royal Society of Chemistry |
| Publisher's version | License File Access Level Anyone |
| Digital Object Identifier (DOI) | https://doi.org/10.1039/D4CC03388D |
| Publication dates | |
| Online | 16 Aug 2024 |
| Publication process dates | |
| Accepted | 12 Aug 2024 |
| Deposited | 19 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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