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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

Journal article published in 2003 by Stéphanie M. Cornet, Keith B. Dillon, Christopher D. Entwistle, Mark A. Fox ORCID, Andrés E. Goeta, Helen P. Goodwin, Todd B. Marder, Amber L. Thompson
This paper was not found in any repository; the policy of its publisher is unknown or unclear.
This paper was not found in any repository; the policy of its publisher is unknown or unclear.

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Abstract

Several new boron compounds containing the 2,4,6-(CF3)(3)C6H2 (fluoromes=Ar), 2,6-(CF3)(2)C6H3 (fluoroxyl=Ar') or 2,4-(CF3)(2)C6H3(Ar") ligands have been synthesised from reactions of ArLi, Ar'Li or Ar"Li with BCl3, and characterised by F-19 and B-11 NMR spectroscopy. Chlorine/fluorine exchanges are evident in these reactions. The crystal and molecular structures of Ar2BF, Ar"B-3, Ar2B(OH), Ar'B(OH)(2) and Mes(2)BF (Mes=2,4,6-Me3C6H2)have been determined by single crystal X-ray diffraction. Ar"B-3 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.