Synthesis and characterization of cyano-substituted carborane-based compounds. Molecular structure of [1-(4-C7H7)-12-(C 5H3-3-(CN)-3,4-(CH3)2)-C 2B10H10]

Jesse Taylor, Wilda Vargas, Ana Torvisco, Karin Ruhlandt-Senge, James T. Spencer

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

The reaction of cyanogen chloride with [1-(4-C7H 7)-12-(C5H3-3,4-(CH3) 2)-C2B10H10] (7) was found to yield two new C5-substituted carborane cluster-based compounds, [1-(4-C7H7)-12-(C5H2-3-(CN)-3,4- (CH3)2)-C2B10H10] (8) and [1-(4-C7H7)-12-(C5H-2,4-(CN) 2-3,4-(CH3)2)-C2B10H 10] (9). This cyano-substitution pattern is in contrast to the known substitution for the analogous organic quinarene[5.6.7] system. The observed unique cluster-based products may be understood by a combination of steric and electronic effects. Compounds 8 and 9 were characterized by complete multinuclear NMR, 1H-1H COSY NMR, 1H- 13C HMQC NMR, FTIR, UV-Vis, IR, MS data and a single crystal analysis for 8 [X-ray data for 8: C17H25B10N, monoclinic, space group P21/n with cell constants a = 8.6794(17) Å, b = 11.021(2) Å, c = 43.175(9) Å, β = 91.00(3)°, V = 4129.2(14) Å3, Z = 8, R1 = 0.0729, wR2 = 0.1464].

Original languageEnglish (US)
Pages (from-to)10585-10591
Number of pages7
JournalDalton Transactions
Volume40
Issue number40
DOIs
StatePublished - Oct 28 2011

ASJC Scopus subject areas

  • Inorganic Chemistry

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