Microwave measurements of the rotational spectrum for cyclopentadienyl-cobalt dicarbonyl

M. A. Roehrig, Qi Qi Chen, S. T. Haubrich, S. G. Kukolich

Research output: Contribution to journalArticle

20 Scopus citations

Abstract

Rotational transitions in the 6-18 GHz range were measured for cyclopentadienyl-cobalt dicarbonyl (CpCo(CO)2) using a Flygare-Balle type pulsed beam spectrometer. Splitting and additional transitions due to hindered internal rotation and cobalt quadrupole coupling were observed in the spectrum. Analysis of the spectrum provided the rotational constants A=1625(20), B=1257(2) and C=876(2) MHz. This molecule appears to have a tenfold barrier to rotation of the -Co(CO)2 fragment about the C5 axis of the Cp group. The potential energy barrier to internal rotation is V10=0.82(20) THz (0.3 kJ/mol). The value of the OCCoCO angle was found to be θ=98(5)°. This and other structure parameters will be compared with electron diffraction results. The 59Co quadrupole coupling components are eQqaa=12(4) MHz and eQqbb=132(4) MHz.

Original languageEnglish (US)
Pages (from-to)84-88
Number of pages5
JournalChemical Physics Letters
Volume183
Issue number1-2
DOIs
StatePublished - Aug 23 1991

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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