“Anti-Crown” Chemistry: Synthesis of [9]Mercuracarborand-3 and the Crystal Structure of Its Acetonitrile Complexes

Xiaoguang Yang, Zhiping Zheng, Carolyn B. Knobler, M. Frederick Hawthorne

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95 Scopus citations


The reaction of mercuric acetate with closo-1,2-Li2-l,2-C2B10H10 yielded [9]mercuracarborand-3, (C2B10H10Hg)3 (1), in 60% yield. Compound 1 was characterized by multinuclear NMR spectroscopy and its chloride ion complex, 1·Cl, by negative ion FAB mass spectroscopy. The structure of 1 was determined by X-ray crystallography. 1 crystallized from acetonitrile in the monoclinic space group P21/c with a = 13.358 (2), b = 26.846 (4), and c = 20.375 Å, Å = 109.694 (5)°, V = 7909 Å3, and Z = 4. Data were collected on a Picker FACS-1 diffractometer, using Mo Kβ radiation, to a maximum 28 = 45°, giving 10 348 unique reflections, and the structure was solved by heavy atom methods. The final discrepancy index was R = 0.044, Rw = 0.049 for 5193 independent reflections with I > 3σ(I). The chloride ion complex of 1,1·ClLi, was formed upon treatment of 1 with LiCl. The complexation behavior of 1 in acetone was studied by 199Hg NMR spectroscopy.

Original languageEnglish (US)
Pages (from-to)193-195
Number of pages3
JournalJournal of the American Chemical Society
Issue number1
StatePublished - Jan 1 1993
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry


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