The Microwave Spectrum of Cyclopentadienyl Vanadium Tetracarbonyl, a Fluxional Molecule

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-...

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Bibliographic Details
Published in:Journal of molecular spectroscopy 1995-08, Vol.172 (2), p.378-383
Main Authors: Mckay, R.T., Hubbard, J.L., Kukolich, S.G.
Format: Article
Language:English
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Summary: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 C4ν symmetry of the V(CO)4 group.
ISSN:0022-2852
1096-083X
DOI:10.1006/jmsp.1995.1186