Controlling and predicting alkyl-onium electronic structure.

Autor: Tompkins FKT; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk., Parker LG; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk., Fogarty RM; Department of Chemistry, Imperial College London, UK., Seymour JM; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk., Gousseva E; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk., Grinter DC; Diamond Light Source, UK., Palgrave RG; Department of Chemistry, University College London, UK., Smith CD; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk., Bennett RA; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk., Matthews RP; Department of Biosciences, University of East London, UK. RMatthews3@uel.ac.uk., Lovelock KRJ; Department of Chemistry, University of Reading, UK. k.r.j.lovelock@reading.ac.uk.
Jazyk: angličtina
Zdroj: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2024 Sep 24; Vol. 60 (77), pp. 10756-10759. Date of Electronic Publication: 2024 Sep 24.
DOI: 10.1039/d4cc03388d
Abstrakt: 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.
Databáze: MEDLINE