Microwave measurements of the rotational spectrum of butadiene iron tricarbonyl

Stephen G Kukolich, M. A. Roehrig, G. L. Henderson, D. W. Wallace, Qi Qi Chen

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The rotational spectrum of butadiene iron tricarbonyl was measured using a Flygare-Balle type microwave spectrometer. A total of 71 a-dipole and c-dipole transitions in the 5-17 GHz range were obtained for this asymmetric top transition metal complex. The "best fit" rotational constants are A = 1005.4201(3) MHz, B = 958.0408(2) MHz, and C = 933.6865(3) MHz. Centrifugal distortion constants were also obtained in the least-squares fit to the measured transitions. The present measurements indicate an upper limit of 40 kHz for splittings due to internal rotation, which places a lower limit on the barrier height of V3 ≥ 1.2 THz. The measured rotational constants are used to determine CO bond angles and the distances between Fe and the butadiene C atoms.

Original languageEnglish (US)
Pages (from-to)829-831
Number of pages3
JournalThe Journal of Chemical Physics
Volume97
Issue number2
StatePublished - 1992

Fingerprint

Microwave measurement
rotational spectra
butadiene
Microwave spectrometers
Iron
microwaves
iron
Coordination Complexes
Carbon Monoxide
dipoles
Transition metals
microwave spectrometers
Atoms
transition metals
atoms
1,3-butadiene

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Kukolich, S. G., Roehrig, M. A., Henderson, G. L., Wallace, D. W., & Chen, Q. Q. (1992). Microwave measurements of the rotational spectrum of butadiene iron tricarbonyl. The Journal of Chemical Physics, 97(2), 829-831.

Microwave measurements of the rotational spectrum of butadiene iron tricarbonyl. / Kukolich, Stephen G; Roehrig, M. A.; Henderson, G. L.; Wallace, D. W.; Chen, Qi Qi.

In: The Journal of Chemical Physics, Vol. 97, No. 2, 1992, p. 829-831.

Research output: Contribution to journalArticle

Kukolich, SG, Roehrig, MA, Henderson, GL, Wallace, DW & Chen, QQ 1992, 'Microwave measurements of the rotational spectrum of butadiene iron tricarbonyl', The Journal of Chemical Physics, vol. 97, no. 2, pp. 829-831.
Kukolich, Stephen G ; Roehrig, M. A. ; Henderson, G. L. ; Wallace, D. W. ; Chen, Qi Qi. / Microwave measurements of the rotational spectrum of butadiene iron tricarbonyl. In: The Journal of Chemical Physics. 1992 ; Vol. 97, No. 2. pp. 829-831.
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