The microwave spectrum of cyclopentadienyl vanadium tetracarbonyl, a fluxional molecule

R. T. McKay, J. L. Hubbard, S. G. Kukolich

Research output: Contribution to journalArticle

11 Scopus citations

Abstract

The microwave spectrum of the symmetric-top, transition metal complex n5-C5H5V(CO)4 was measured in the 3-11 GHz range using a Flygare-Balle-type spectrometer. The molecular parameters obtained from the spectra are B = 640.429(5) MHz, eqQ(51V) = -4.77(6) MHz, and DJ = 0.17(4) kHz. Approximately one-half of the measured transition frequencies did not fit the pattern expected for a symmetric-top, rigid rotor with quadrupole coupling and are believed to be due to the effects of a low-frequency vibrational mode. In addition, the line centers for the rotational transitions which were fit to the symmetric-top model showed systematic deviations of approximately ± 20 kHz. It is proposed that these two anomalies are due to low-frequency CO bending modes which result in deviations from the C symmetry of the V(CO)4 group.

Original languageEnglish (US)
Pages (from-to)378-383
Number of pages6
JournalJournal of Molecular Spectroscopy
Volume172
Issue number2
DOIs
StatePublished - Aug 1995

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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