THE PERMANENT ELECTRIC DIPOLE MOMENTS OF THE $^{3}\Pi$ and $^{3}\Delta$ STATES OF RUTHENIUM MONOCARBIDE, RuC

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2004

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Ohio State University

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Elucidating the structure and function of the chemically pervasive transition metal-carbon bond is a problem of both fundamental and applied scientific interest. Recent insight into the nature of the metal-carbon bond has been due to high-resolution gas-phase spectroscopy of the diatomic monocarbides, where measurement of permanent electric dipole moments and hyperfine structure are particularly informative. Ruthenium monocarbide has garnered recent interestabcdef due to its ease of production, intense visible electronic transitions and large magnetic hyperfine structure. We report on the investigation of the (0,0){12.7}3Π2−{0.1}3Δ3 and (0,0)13.93Π1−{0.9}3Δ2 band systems using high-resolution laser induced fluorescence spectroscopy. Stark shifts of the 102RuC and 104RuC isotopomers were analyzed to produce the magnitude of the permanent electric dipole moments for the 3Δ3,3Δ2,3Π2 and 3Π1 states. The measured moments prompt a discussion of the electronic structure and bonding in the 3Δ and 3Π electronic states. Dipole moment trends are most informative when coupled to molecular orbital correlation diagrams. The measured dipole moments can be used as true benchmarks for rigorous electronic structure calculations. A comparison with isovalent FeC is made.g

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a T. C. Steimle and W. L. Virgo J. Chem. Phys. 118, 2620 (2003). b I. Shim and K. A. Gingerich Chem. Phys. Lett. 317, 338 (2000). c J. D. Langenberg, R. S. DaBell, L. Shao, D. Dreessen and M. Morse J. Chem. Phys. 109, 7863 (1998). d R. S. DaBell, R. G. Meyer and M. D. Morse J. Chem. Phys. 114, 2938 (1998). e I. Shim, H. C. Finkbeiner and K. A. Gingerich J. Phys. Chem. 91, 3171 (1987). f R. Scullman and B. Thelin Phys. Scr. 3, 19 (1971). g T. C. Steimle, W. L. Virgo and D. A. Hostutler J. Chem. Phys. 117, 1511 (2002).


Author Institution: Department of Chemistry and Biochemistry, Arizona State University; Physical and Theoretical Chemistry Laboratory, Oxford University

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