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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

67 Citations (Scopus)


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
Externally publishedYes


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

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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