On the reactivity of acetylenes coordinated to cobalt. 9. Effects of substitution and coordination on the 13C-NMR chemical shifts of the sp Carbons of (μ2-R1C2R2)Co2(CO)6 complexes. Molecular structure of (μ2-PhC2SiPh3)Co2(CO)6

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

  • Berit Happ
  • Tamás Bartik
  • Claudia Zucchi
  • Maria Cecilia Rossi
  • Gyula Váradi
  • Gábor Szalontai
  • Angiola Chiesi-Villa
  • Carlo Guastini

Detail(s)

Original languageEnglish
Pages (from-to)809-819
Journal / PublicationOrganometallics
Volume14
Issue number2
Publication statusPublished - 1 Feb 1995
Externally publishedYes

Abstract

Thirty-four (μ2-R1C2R2)Co2(CO)6 complexes (14 new) were prepared and characterized by their IRv(CO) and 1H- and 13C-NMR spectra. The 13C-NMR chemical shifts of the coordinated sp carbon atoms were correlated with those of the corresponding free acetylenes. This indicated that the interaction between the R1 and R2 groups and the C2Co2(CO)6 moiety is very sensitive not only to the donor/acceptor character of R1 and R2 but also to the orbital symmetry of the atoms attached directly to the C(sp) atoms. The changes of the δ(13C) values of the C(sp) atoms upon coordination were also analyzed in these terms. It is concluded that although the dinuclear μ2-coordination of the acetylene results in a high degree of excitation the stability of the C2Co2(CO)6 moiety diminished the reactivity of the organic ligand. Differences in the reactivity of the (μ2-R1C2R2)Co2(CO)6 complexes in carbonylation are also discussed. The crystal and molecular structure of (PhC2SiPh3)Co2(CO)6 was determined by single crystal X-ray diffraction. This compound crystallizes in the orthorhombic Pbca space group with a = 28.790(2) Å, b = 11.577(1) Å, c = 17.833(2) Å, Z = 8. The structure was determined with R = 0.039, Rw = 0.036. © 1995 American Chemical Society.

Citation Format(s)

On the reactivity of acetylenes coordinated to cobalt. 9. Effects of substitution and coordination on the 13C-NMR chemical shifts of the sp Carbons of (μ2-R1C2R2)Co2(CO)6 complexes. Molecular structure of (μ2-PhC2SiPh3)Co2(CO)6. / Happ, Berit; Bartik, Tamás; Zucchi, Claudia; Rossi, Maria Cecilia; Váradi, Gyula; Szalontai, Gábor; Horváth, István T.; Chiesi-Villa, Angiola; Guastini, Carlo.

In: Organometallics, Vol. 14, No. 2, 01.02.1995, p. 809-819.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review