| Summary: | Several new boron compounds containing the 2,4,6- (CF3)3C6H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar′) or 2,4-(CF3)2C6H3 (Ar″) ligands have been synthesised from reactions of ArLi, Ar′Li or Ar″Li with BCl3, and characterised by 19F and 11B NMR spectroscopy. Chlorine/fluorine exchanges are evident in these reactions. The crystal and molecular structures of Ar2BF, Ar″3B, Ar2B(OH), Ar′B(OH)2 and Mes2BF (Mes = 2,4,6-Me3C6H2) have been determined by single crystal X-ray diffraction. Ar″3B represents the first example of a compound containing three Ar″ ligands to be structurally characterised. Molecular geometries and GIAO-NMR shifts for several new boron compounds have been calculated at the HF/6-31G* level of theory, and compared with the available experimental results.
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