Syntheses, characterisation, and computational studies of tungsten hexafluoride adducts with pyridine and its derivatives
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Date
2018
Authors
Turnbull, Douglas
Kostiuk, Nathan
Wetmore, Stacey D.
Gerken, Michael
Journal Title
Journal ISSN
Volume Title
Publisher
Elsevier
Abstract
The 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.
Description
Accepted author manuscript
Keywords
Tungsten hexafluoride , Lewis-acid-base adducts , Heptacoordinate , Crystal structure
Citation
Turnbull, 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.2018.08.007