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 3Σ 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 Ω=0 observed by Fourier transform microwave (FTMW) spectroscopy [1]. The rotational and centrifugal distortion constants were determined as B0=4363.88342(40) MHz, and D0 = 1.217 99(84) kHz. The spin-spin coupling constant and the spin-rotation coupling constant are γ0=684.470(51) GHz and γ0=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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