abstract58
Paper
Dalton Trans., 2003, 4395 – 4405, DOI: 10.1039/b309820f
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
Stéphanie M. Cornet, Keith B. Dillon, Christopher D. Entwistle, Mark A. Fox, Andrés E. Goeta, Helen P. Goodwin, Todd B. Marder and Amber L. Thompson
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 ArLi 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, Ar3B, Ar2B(OH), Ar
B(OH)2 and Mes2BF (Mes = 2,4,6-Me3C6H2) have been determined by single crystal X-ray diffraction. Ar3B 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.
