Synthesis, Characterization, and Properties of Weakly Coordinating Anions Based on tris-Perfluoro-tert-Butoxyborane

A convenient method for the preparation of strongly Lewis acidic tris-perfluoro-tert-butoxyborane B­(ORF)3 (1), (ORF = OC­(CF3)3) was developed, and its X-ray structure was determined. 1 was used as a precursor, guided by density functional theory (DFT) calculations and volume-based thermodynamics,...

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Published inInorganic chemistry Vol. 56; no. 2; pp. 974 - 983
Main Authors LeBlanc, Francis A, Decken, Andreas, Cameron, T. Stanley, Passmore, Jack, Rautiainen, J. Mikko, Whidden, Thomas K
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 17.01.2017
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Summary:A convenient method for the preparation of strongly Lewis acidic tris-perfluoro-tert-butoxyborane B­(ORF)3 (1), (ORF = OC­(CF3)3) was developed, and its X-ray structure was determined. 1 was used as a precursor, guided by density functional theory (DFT) calculations and volume-based thermodynamics, for the synthesis of [NEt4]­[NCB­(ORF)3] (3) and [NMe4]­[FB­(ORF)3] (5) and the novel large and weakly coordinating anion salts [Li 15-Crown-5]­[B­(ORF)4] (2) and [NEt4]­[CN­{B­(ORF)3}2] (4). The stability of [B­(ORF)4]− was compared with that of some related known weakly coordinating anions by appropriate DFT calculations.
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ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.6b02670