3 years ago

Syntheses and Characterization of W(NC6F5)F5– and W2(NC6F5)2F9– Salts and Computational Studies of the W(NR)F5– (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9– Anions

Syntheses and Characterization of W(NC6F5)F5– and W2(NC6F5)2F9– Salts and Computational Studies of the W(NR)F5– (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9– Anions
Michael Gerken, Douglas Turnbull, Stacey D. Wetmore
Facile syntheses of W(NC6F5)F5 and W2(NC6F5)2F9 salts have been developed. These salts have been fully characterized in the solid state by X-ray crystallography and Raman spectroscopy and in solution by 19F and 1H NMR spectroscopy. In addition, complementary DFT studies (B3LYP) have been conducted on the W(NR)F5 (R = H, F, CH3, CF3, C6H5, C6F5) and W2(NC6F5)2F9 anions in order to relate their structural and electronic properties.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b02048

DOI: 10.1021/acs.inorgchem.7b02048

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