Reactivity of [M(η4-P2C2tBu 2)] (M= Ge, Sn) with tert-butylphosphaethyne, P≡CtBu: Synthesis, structural characterisation and computational studies of the novel zwitterionic organophosphorus cage compounds [MP4C 4tBu4] (M = Ge, Sn)

Matthew D. Francis, Peter B. Hitchcock, John F. Nixon, L. Nyulászi

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Treatment of [M(η4-P2C2tBu 2)] with the phosphaalkyne P≡CtBu leads to the formation of the unusual zwitterionic cage compounds [M(P4C4tBu 4)] (M = Ge, Sn) which have been fully characterised in solution by multinuclear NMR spectroscopy and the solid-state structure of [GeP 4C4tBu4] has been elucidated by a single-crystal X-ray diffraction study. DFT calculations support the zwitterionic formulation and suggest the likely reaction pathway. Whilst [GeP4C4tBu4] exhibits considerable stability, [SnP4C4tBu4] shows gradual decomposition in solution within a matter of hours.

Original languageEnglish
Pages (from-to)1761-1766
Number of pages6
JournalEuropean Journal of Inorganic Chemistry
Issue number11
DOIs
Publication statusPublished - Apr 2008

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Discrete Fourier transforms
Nuclear magnetic resonance spectroscopy
Single crystals
Decomposition
X ray diffraction

Keywords

  • Cage compounds
  • DFT calculations
  • Germanium
  • NMR spectroscopy
  • Phosphorus
  • Tin
  • Zwitterion

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

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title = "Reactivity of [M(η4-P2C2tBu 2)] (M= Ge, Sn) with tert-butylphosphaethyne, P≡CtBu: Synthesis, structural characterisation and computational studies of the novel zwitterionic organophosphorus cage compounds [MP4C 4tBu4] (M = Ge, Sn)",
abstract = "Treatment of [M(η4-P2C2tBu 2)] with the phosphaalkyne P≡CtBu leads to the formation of the unusual zwitterionic cage compounds [M(P4C4tBu 4)] (M = Ge, Sn) which have been fully characterised in solution by multinuclear NMR spectroscopy and the solid-state structure of [GeP 4C4tBu4] has been elucidated by a single-crystal X-ray diffraction study. DFT calculations support the zwitterionic formulation and suggest the likely reaction pathway. Whilst [GeP4C4tBu4] exhibits considerable stability, [SnP4C4tBu4] shows gradual decomposition in solution within a matter of hours.",
keywords = "Cage compounds, DFT calculations, Germanium, NMR spectroscopy, Phosphorus, Tin, Zwitterion",
author = "Francis, {Matthew D.} and Hitchcock, {Peter B.} and Nixon, {John F.} and L. Nyul{\'a}szi",
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journal = "Chemische Berichte",
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AU - Francis, Matthew D.

AU - Hitchcock, Peter B.

AU - Nixon, John F.

AU - Nyulászi, L.

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N2 - Treatment of [M(η4-P2C2tBu 2)] with the phosphaalkyne P≡CtBu leads to the formation of the unusual zwitterionic cage compounds [M(P4C4tBu 4)] (M = Ge, Sn) which have been fully characterised in solution by multinuclear NMR spectroscopy and the solid-state structure of [GeP 4C4tBu4] has been elucidated by a single-crystal X-ray diffraction study. DFT calculations support the zwitterionic formulation and suggest the likely reaction pathway. Whilst [GeP4C4tBu4] exhibits considerable stability, [SnP4C4tBu4] shows gradual decomposition in solution within a matter of hours.

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