Molecular and crystal structures of Cp*M(S2N2) (M = Co, Rh, Ir) and related compounds

Vit Matuska, Karla Tersago, Petr Kilian, Christian Van Alsenoy, Frank Blockhuys, Alexandra Martha Zoya Slawin, J Derek Woollins

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11 Citations (Scopus)

Abstract

Cp*Rh(S2N2) was prepared as a microcrystalline solid by using [S4N3]Cl in liquid ammonia or [nBu2Sn(S2N2)]2. It was characterised by NMR, IR and Raman spectroscopy andmass spectrometry. Low-temperature crystal structures of Cp*Co(S2N2) and Cp*Ir(S2N2) were determined. The experimental characterisation of the Cp*M(S2N2) complexes was complemented by calculated geometries and bond orders at the DFT/B1B95 level of theory.

Original languageEnglish
Pages (from-to)4483-4490
Number of pages8
JournalEuropean Journal of Inorganic Chemistry
Volume2009
Issue number29-30
DOIs
Publication statusPublished - Oct 2009

Keywords

  • Metallacycles
  • Rhodium
  • Structure elucidation
  • Density functional calculations
  • Transition-Metal-Complexes
  • Nuclear magnetic-resonance
  • Sulfur Nitrogen complexes
  • Auxiliary basis-sets
  • Roeskys Sulfoxide
  • Liquid-ammonia
  • Reactivity
  • CPCOS2N2
  • S4N4
  • 1/2PH2PCH2CH2PPH2

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