MILLIMETERWAVE SPECTROSCOPY OF THE IRON CARBONYL RADICAL (FeCO)

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1997

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Ohio State University

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The pure rotational spectrum of the iron carbonyl radical FeCO produced by a de discharge of iron pentacarbonyl $Fe(CO)_{5}$ was observed in the millimeterwave region. Ten rotational transitions, split into triples by the electron spin-spin interaction, were assigned to the electronic ground state of FeCO, definitely confirming that the FeCO radical has $^{3}\Sigma -$ symmetry. Molecular constants in the ground state were derived from an analysis of the MMW spectrum combined with the rotational lines in the lowest spin component $\Omega = 0$ observed by Fourier transform microwave (FTMW) spectroscopy [1]. The rotational and centrifugal distortion constants were determined as $B_{0} = 4363.883 42(40)$ MHz, and $D_{0}$ = 1.217 99(84) kHz. The spin-spin coupling constant and the spin-rotation coupling constant are $\gamma_{0} = 684.470 (51)$ GHz and $\gamma_{0} = 1127.80 (35)$ MHz, respectively, where the figures in the parentheses are a standard error to be attached to the last digits.

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[1] Y. Kasai et al, J. Chem. Phys. 103, 90 (1995).
Author Institution: Department of Chemistry, Faculty of Science, Kyushu University

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