[MeNC5H5](2)[TCNE](2) (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 angstrom C-C bond

Paula M. B. Piccoli, Arthur J. Schultz, Hazel A. Sparkes, Judith A. K. Howard, Atta M. Arif, Louise N. Dawe, Joel S. Miller*

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

12 Citations (Scopus)

Abstract

The reaction of N-methylpyridinium iodide, Mepy(+)I(-), and tetracyanoethylene (TCNE) forms [Mepy](2)[TCNE](2), which possesses [TCNE](2)(2-) with an intradimer C-C bond distance of 2.806(1) angstrom at 50 K from X-ray diffraction, and 2.801(4) angstrom at 50 K from neutron diffraction. In the IR it exhibits v(C N) absorptions at 2191, 2174, 2169, 2163 and a v(CC) absorption at 1366 cm(-1), with UV/Vis absorption bands at 26,880 and 18,520 cm(-1). Analysis of the cation-hydrogen to [TCNE](2)(2-) interactions do not provide evidence that the cation stabilizes formation of the [TCNE](2)(2-) dimer, which is stabilized by the intradimer 2e(-)-4 center C-C bonding interaction.

Original languageEnglish
Pages (from-to)686-690
Number of pages5
JournalCrystEngComm
Volume11
Issue number4
DOIs
Publication statusPublished - 2009

Keywords

  • SOLID-STATE
  • HYDROGEN
  • DIMER
  • 2-ELECTRON
  • VAN

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