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Controlling and predicting alkyl-onium electronic structure

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Towers Tompkins, F. K., Parker, L. G., Fogarty, R. M., Seymour, J. M., Gousseva, E., Grinter, D. C., Palgrave, R. G., Smith, C. D. ORCID: https://orcid.org/0000-0002-5911-5836, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Matthews, R. P. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2024) Controlling and predicting alkyl-onium electronic structure. Chemical Communications, 60 (77). pp. 10756-10759. ISSN 1364-548X

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To link to this item DOI: 10.1039/D4CC03388D

Abstract/Summary

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.

Item Type:Article
Refereed:Yes
Divisions:Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:117801
Publisher:The Royal Society of Chemistry
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