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