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dc.contributor.authorPike, Sarah J.
dc.contributor.authorLavagnini, E.
dc.contributor.authorVarley, L.M.
dc.contributor.authorCook, J.L.
dc.contributor.authorHunter, C.A.
dc.date.accessioned2020-02-20T09:30:42Z
dc.date.accessioned2020-03-05T11:20:08Z
dc.date.available2020-02-20T09:30:42Z
dc.date.available2020-03-05T11:20:08Z
dc.date.issued2019
dc.identifier.citationPike SJ, Lavagnini E, Varley LM et al(2019) H-bond donor parameters for cations. Chemical Science. 10: 5943-5951.en_US
dc.identifier.urihttp://hdl.handle.net/10454/17670
dc.descriptionYesen_US
dc.description.abstractUV/Vis absorption and NMR spectroscopy titrations have been used to investigate the formation of complexes between cations and neutral H-bond acceptors in organic solvents. Complexes formed by two different H-bond acceptors with fifteen different cations were studied in acetone and in acetonitrile. The effects of water and ion pairing with the counter-anion were found to be negligible in the two polar solvents employed for this study. The data were used to determine self-consistent H-bond donor parameters (α) for a series of organic and inorganic cations; guanidinium, primary, tertiary and quaternary ammonium, imidazolium, methylpyridinium, lithium, sodium, potassium, rubidium and caesium. The results demonstrate the transferability of α parameters for cations between different solvents and different H-bond acceptor partners, allowing reliable prediction of cation recognition properties in different environments. Lithium and protonated nitrogen cations form the most stable complexes, but the α parameter is only 5.0, which is similar to the neutral H-bond donor 3-trifluoromethyl, 4-nitrophenol (α = 5.1). Quaternary ammonium is the weakest H-bond donor investigated with an α value of 2.7, which is comparable to an alcohol. The α parameters for alkali metal cations decrease down the group from 5.0 (Li+) to 3.5 (Cs+).en_US
dc.description.sponsorshipFinancial support from the Engineering and Physical Sciences Research Council (EP/K025627/2) and Unileveren_US
dc.language.isoenen_US
dc.relation.isreferencedbyhttps://doi.org/10.1039/C9SC00721Ken_US
dc.rights© 2019 Royal Society of Chemistry. This work is licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/en_US
dc.subjectH-bondsen_US
dc.subjectCationsen_US
dc.titleH-bond donor parameters for cationsen_US
dc.status.refereedYesen_US
dc.date.Accepted2019-05-01
dc.typeArticleen_US
dc.type.versionPublished versionen_US
dc.date.updated2020-02-20T09:30:51Z
refterms.dateFOA2020-03-05T11:22:31Z


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