Syntheses, characterisation, and computational studies of tungsten hexafluoride adducts with pyridine and its derivatives

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dc.contributor.authorTurnbull, Douglas
dc.contributor.authorKostiuk, Nathan
dc.contributor.authorWetmore, Stacey D.
dc.contributor.authorGerken, Michael
dc.date.accessioned2021-07-30T17:39:03Z
dc.date.available2021-07-30T17:39:03Z
dc.date.issued2018
dc.descriptionAccepted author manuscripten_US
dc.description.abstractThe reactions of WF6 with pyridine, 4-methylpyridine, 4-(dimethylamino)pyridine, and 4,4′-bipyridine (4,4′-bipy) in CH2Cl2 afford the Lewis-acid-base adducts WF6(4-NC5H4R) (R = H, CH3, N(CH3)2) and F6W(4,4′-bipy)WF6 as solids in quantitative yields. These adducts have been characterised in the solid state by Raman spectroscopy at ambient temperature and, in the cases of the mononuclear adducts, by X-ray crystallography at −173 °C. Furthermore, density-functional-theory (DFT-B3LYP) studies have been conducted to aid in predicting the structure of F6W(4,4′-bipy)WF6, assigning the vibrational frequencies of the adducts, and comparing their electronic properties.en_US
dc.description.peer-reviewYesen_US
dc.identifier.citationTurnbull, D., Kostiuk, N., Wetmore, S. D., & Gerken, M. (2018). Syntheses, characterisation, and computational studies of tungsten hexafluoride adducts with pyridine and its derivatives. Journal of Fluorine Chemistry, 215, 1-9. https://doi.org/10.1016/j.jfluchem.2018.08.007en_US
dc.identifier.urihttps://hdl.handle.net/10133/5979
dc.language.isoen_USen_US
dc.publisherElsevieren_US
dc.publisher.departmentDepartment of Chemistry and Biochemistryen_US
dc.publisher.facultyArts and Scienceen_US
dc.publisher.institutionUniversity of Lethbridgeen_US
dc.publisher.institutionCanadian Centre for Research in Advanced Fluorine Technologiesen_US
dc.publisher.urlhttps://doi.org/10.1016/j.jfluchem.2018.08.007en_US
dc.subjectTungsten hexafluorideen_US
dc.subjectLewis-acid-base adductsen_US
dc.subjectHeptacoordinateen_US
dc.subjectCrystal structureen_US
dc.subject.lcshLewis acids
dc.subject.lcshPyridine
dc.titleSyntheses, characterisation, and computational studies of tungsten hexafluoride adducts with pyridine and its derivativesen_US
dc.typeArticleen_US
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