99919-68-3Relevant articles and documents
Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF3)3C6 H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar′), or 2,4-(CF3)2 C6H3 (Ar″) ligands
Cornet, Stephanie M.,Dillon, Keith B.,Entwistle, Christopher D.,Fox, Mark A.,Goeta, Andres E.,Goodwin, Helen P.,Marder, Todd B.,Thompson, Amber L.
, p. 4395 - 4405 (2007/10/03)
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.
