Structural Analysis of Mono-Substituted N-butyl-pyridinium Salts: In Search of Ionic Liquids

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dc.contributor.author Kelley, Steven P.
dc.contributor.author Smetana, Volodymyr
dc.contributor.author Mudring, Anja-Verena
dc.contributor.author Rogers, Robin D.
dc.date.accessioned 2021-07-28T16:23:41Z
dc.date.available 2021-07-28T16:23:41Z
dc.date.issued 2021
dc.identifier.citation Kelley, S., Smetana, V., Mudring, A., Rogers, R. (2021): Structural Analysis of MonoSubstituted N-butyl-pyridinium Salts: In Search of Ionic Liquids. Journal of Coordination Chemistry. 74(1-3). en_US
dc.identifier.uri http://ir.ua.edu/handle/123456789/7998
dc.description.abstract Four mono-substituted N-butylpyridinium salts, 1-butyl-4- dimethylaminopyridinium chloride [b4dmapy]Cl, 1-butyl-4-methylpyridinium bromide [b4mpy]Br, 1-butyl-4-methylpyridinium hexafluorophosphate [b4mpy][PF6], and 1-butyl-3-methylpyridinium hexafluorophosphate [b3mpy][PF6] were synthesized and characterized using single crystal X-ray diffraction. The crystal structures were examined with the intent of identifying ion interactions leading to higher melting points of the halide salts with respect to the [PF6] – salts. The changes in hydrogen bonding, C–H p, and van der Waals interactions have been analyzed with respect to anion, functional groups, and the symmetry of the cation to establish interdependence with the compound’s physicochemical properties. It has been observed that the cation–anion interactions are represented by highly directional hydrogen bonds and show strong preference to positions of interaction depending on the anion. The cations of the halide salts show strong tendency towards higher dimensional formations, while those of the [PF6] – salts prefer low dimensional assemblies both being based mainly on the weaker van der Waals interactions. These interactions depend on the shape of the cation but may offer certain structure-ordering rigidity accommodating variable anions. en_US
dc.description.uri https://doi.org/10.1080/00958972.2021.1876851
dc.format.mimetype application/pdf
dc.language English en_US
dc.rights.uri https://creativecommons.org/licenses/by/4.0/
dc.subject Ionic liquid en_US
dc.subject crystal structure en_US
dc.subject symmetry en_US
dc.subject disorder en_US
dc.subject bonding en_US
dc.title Structural Analysis of Mono-Substituted N-butyl-pyridinium Salts: In Search of Ionic Liquids en_US
dc.type text


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