The Microwave Spectrum of Cyclopentadienyl Vanadium Tetracarbonyl, a Fluxional Molecule

R. T. Mckay, J. L. Hubbard, Stephen G Kukolich

Research output: Contribution to journalArticle

11 Citations (Scopus)

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

Fingerprint

Vanadium
microwave spectra
Carbon Monoxide
vanadium
Microwaves
low frequencies
deviation
rigid rotors
Molecules
Rigid rotors
molecules
vibration mode
quadrupoles
transition metals
Coordination Complexes
Vibrational spectra
spectrometers
anomalies
Transition metals
Spectrometers

ASJC Scopus subject areas

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

Cite this

The Microwave Spectrum of Cyclopentadienyl Vanadium Tetracarbonyl, a Fluxional Molecule. / Mckay, R. T.; Hubbard, J. L.; Kukolich, Stephen G.

In: Journal of Molecular Spectroscopy, Vol. 172, No. 2, 08.1995, p. 378-383.

Research output: Contribution to journalArticle

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N2 - 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.

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