6533b7d1fe1ef96bd125ce4f

RESEARCH PRODUCT

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

Jack PassmoreT. Stanley CameronT. K. WhiddenAndreas DeckenFrancis Arthur LeblancJ. Mikko Rautiainen

subject

Trisweakly coordinating anionssynthesis010405 organic chemistryboranes010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundchemistryComputational chemistryLewis acidsDensity functional theoryPhysical and Theoretical Chemistryta116

description

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.

https://doi.org/10.1021/acs.inorgchem.6b02670