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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Abstract

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
Volume472
Issue number1-2
DOIs
Publication statusPublished - Jun 14 1994

Fingerprint

Carbon Monoxide
Electronic structure
rods
electronic structure
Organometallics
Molecular orbitals
alkynes
synthesis
Metal complexes
conjugation
Band structure
metals
Light absorption
Stretching
Stars
energy bands
molecular orbitals
Energy gap
optical absorption
Ligands

Keywords

  • 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. https://doi.org/10.1016/0022-328X(94)80211-4

Synthesis and electronic structure of rigid rod octahedral Ru-σ-acetylide complexes. / Khan, Muhammad S.; Kakkar, Ashok K.; Ingham, Scott L.; Raithby, Paul R.; Lewis, Jack; Spencer, Brock; Wittmann, Felix; Friend, Richard H.

In: Journal of Organometallic Chemistry, Vol. 472, No. 1-2, 14.06.1994, p. 247-255.

Research output: Contribution to journalArticle

Khan, MS, Kakkar, AK, Ingham, SL, Raithby, PR, Lewis, J, Spencer, B, Wittmann, F & Friend, RH 1994, 'Synthesis and electronic structure of rigid rod octahedral Ru-σ-acetylide complexes', Journal of Organometallic Chemistry, vol. 472, no. 1-2, pp. 247-255. https://doi.org/10.1016/0022-328X(94)80211-4
Khan, Muhammad S. ; Kakkar, Ashok K. ; Ingham, Scott L. ; Raithby, Paul R. ; Lewis, Jack ; Spencer, Brock ; Wittmann, Felix ; Friend, Richard H. / Synthesis and electronic structure of rigid rod octahedral Ru-σ-acetylide complexes. In: Journal of Organometallic Chemistry. 1994 ; Vol. 472, No. 1-2. pp. 247-255.
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