Synthesis and characterisation of some 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

Several new boron compounds containing the 2,4,6-(CF3)3C6H2(fluoromes = Ar), 2,6-(CF3)2C6H3(fluoroxyl = Arʹ) or 2,4-(CF3)2C6H3(Ar") ligands have been synthesised from reactions of ArLi, ArʹLi 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 = 2,4,6Me3C6H2) have been determined by single crystal X-ray diffraction. Arʹ3B 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.