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

Cornet, S.M.; Dillon, K.B.; Entwistle, C.D.; Fox, M.A.; Goeta, A.E.; Goodwin, H.P.; Marder, T.B.; Thompson, A.L.

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.

Citation

Cornet, S., Dillon, K., Entwistle, C., Fox, M., Goeta, A., Goodwin, H., Marder, T., & Thompson, A. (2003). 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. Dalton Transactions, 2003(23), 4395-4405. https://doi.org/10.1039/b309820f

• Journal Article Type: Article
• Acceptance Date: Sep 4, 2003
• Online Publication Date: Sep 26, 2003
• Publication Date: 2003
• Deposit Date: Apr 20, 2007
• Journal: Dalton Transactions
• Print ISSN: 1477-9226
• Electronic ISSN: 1477-9234
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 2003
• Issue: 23
• Pages: 4395-4405
• DOI: https://doi.org/10.1039/b309820f
• Public URL: https://durham-repository.worktribe.com/output/1570856