The enhanced structural carborane effect

Samuel L. Powley, Wing Y. Man, Georgina M. Rosair, Alan J. Welch

Research output: Contribution to journalArticle

4 Citations (Scopus)
23 Downloads (Pure)

Abstract

The structures of 1,2-μ-(C4H6)-1,2-closo-C2B10H10 ("dihydrobenzocarborane") and 1,2-μ-(C4H4)-1,2-closo-C2B10H10 ("benzocarborane") determined previously (Wade etal., 1996) are analysed. This provides evidence for an enhanced structural carborane effect, whereby the cage carbon atoms in the latter bond less strongly with B3 and B6, presumably because their p π orbitals are associated to some degree with the exopolyhedral C6 ring, affording it a small degree of aromaticity. The corresponding cobaltacarboranes 3-Cp-1,2-μ-(C4H6)-1,2-closo-CoC2B9H9 (1) and 3-Cp-1,2-μ-(C4H4)-1,2-closo-CoC2B9H9 (2) are synthesised, fully characterised by spectroscopic methods and studied crystallographically. Comparison of their molecular structures affords further evidence for the enhanced structural carborane effect in that the Ccage-Co3 and Ccage-B6 distances in the latter are both significantly longer than those in the former, whilst at the same time the C1-C2 distance significantly decreases on moving from 1 to 2.

Original languageEnglish
Pages (from-to)51-54
Number of pages4
JournalJournal of Organometallic Chemistry
Volume792
Early online date19 Jan 2015
DOIs
Publication statusPublished - 2015

Keywords

  • Carborane
  • Metallacarborane
  • Structural carborane effect
  • Structure
  • Synthesis
  • X-ray diffraction

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