A hexamethyl derivative of [9]mercuracarborand-3: Synthesis, characterization, and host-guest chemistry

Alfred A. Zinn, Zhiping Zheng, Carolyn B. Knobler, M. Frederick Hawthorne

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57 Scopus citations


Hexamethyl[9]mercuracarborand-3, [(CH3)2C2B10H8Hg] 3 (3), was isolated in 60% yield from the reaction of closo-1,2-Li2-9,12-(CH3)2-1,2-C 2B10H8 with mercuric acetate. The title compound was characterized by multinuclear NMR spectroscopy and its halide ion complexes by negative ion FAB mass spectrometry. Both 3 and its complexes are air-stable and soluble in poorly or noncoordinating solvents such as CH2Cl2 and toluene. Compound 3 crystallized from acetonitrile in the triclinic space group P1 with a = 13.362(6) Å, b = 14.071(6) Å, and c = 14.303(6) A, α = 105.15(1)°, β= 95.77(1)°, and γ = 110.14(1)°, V = 2383 Å3, and Z = 2. The final discrepancy indexes were R = 0.059, Rw = 0.064 for 5987 independent reflections with (1 > 3σ(I)). Halide ion complexes of 3 were formed upon treatment of 3 with salts of the corresponding halide ions. The complexation behavior of 3 in acetone was studied by 199Hg NMR spectroscopy, and the guest/host ratio of the resulting complexes has been established to be 1, 2, and 2 for chloride, bromide, and iodide, respectively.

Original languageEnglish (US)
Pages (from-to)70-74
Number of pages5
JournalJournal of the American Chemical Society
Issue number1
StatePublished - Jan 10 1996
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


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