Synthesis and electronic structure of rigid rod octahedral Ru-σ-acetylide complexes

Muhammad S. Khan, Ashok K. Kakkar, Scott L. Ingham, Paul R. Raithby, Jack Lewis, Brock Spencer, Felix Wittmann, Richard H. Friend

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Syntheses of the mono-, bis- and poly-nuclear Ru-σ-acetylide complexes, trans-[Ru(CO)2(PnBu3)2(CC C6H5)2], trans-[ClRu(CO)2(PnBu3)2CCpC6H4C6H4 pCCRu(CO)2(PnBu3)2Cl] and trans-[Ru(CO)2(PnBu3)2CC RCC]n(R = p-C6H4, p(CH3)2C6H2) are reported. A study of the electronic structure of model metal-acetylide complexes of Group 8, M(L)2,(L′)2(RH)2, ClRu(L or L′)4RRu(L or L′)4 Cl, [M(PH3)4(RH)]2R and [M(L)(L)2(R)]n, (M Fe, Ru; L L′ PH3, PMe3; L CO, L′ PH3; R CC, CCC6H4CC, CH CHpC6H4CHCH) has been carried out using the Fenske-Hall molecular orbital model. These results and a comparison of the IR (vCC stretching frequencies) and optical absorption (π-π{black star} energy band gap) spectra of these complexes provide evidence for the role of (i) auxiliary ligands, (ii) metal, and (iii) the bridging alkyne units in determining the extent of π-electron conjugation in the backbone of these rigid rod organometallic complexes.

Original languageEnglish
Pages (from-to)247-255
Number of pages9
JournalJournal of Organometallic Chemistry
Issue number1-2
Publication statusPublished - Jun 14 1994



  • Acetylene
  • Electronic structure
  • Molecular orbital calculations
  • Phosphine
  • Polymer
  • Ruthenium

ASJC Scopus subject areas

  • Biochemistry
  • Chemical Engineering (miscellaneous)
  • Inorganic Chemistry
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Science (miscellaneous)
  • Materials Chemistry

Cite this

Khan, M. S., Kakkar, A. K., Ingham, S. L., Raithby, P. R., Lewis, J., Spencer, B., ... Friend, R. H. (1994). Synthesis and electronic structure of rigid rod octahedral Ru-σ-acetylide complexes. Journal of Organometallic Chemistry, 472(1-2), 247-255.