The microwave spectrum of cyclopentadienyl niobium tetracarbonyl

J. C. Earp, D. S. Margolis, C. Tanjaroon, T. E. Bitterwolf, S. G. Kukolich

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


Rotational transitions for the symmetric-top transition metal complex C5H5Nb(CO)4 were measured using a Flygare-Balle- type pulsed-beam microwave spectrometer. The spectrum indicates that in the gas phase, this complex is a prolate symmetric top with B = C = 558.842(4) MHz. Transitions were measured in the range 4-12 GHz. The observed splittings due to 93Nb quadrupole coupling were smaller than expected, with eq Q(93Nb) =-1.8(6) MHz. The value DJ = 0.04(2) kHz. No evidence for fluxional behavior was observed. The A rotational constant, calculated from the X-ray data, is A = 670(30) MHz and calculated B and C constants are in agreement with the present microwave values. This appears to be the first measurement of a microwave spectrum and gas-phase quadrupole coupling for a 93Nb organometallic complex.

Original languageEnglish (US)
Pages (from-to)82-85
Number of pages4
JournalJournal of Molecular Spectroscopy
Issue number1
StatePublished - 2002

ASJC Scopus subject areas

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


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