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Article Dans Une Revue Molecular Physics Année : 2008

Jet-cooled FTIR spectroscopy and analysis of the ν5 C--O stretch fundamental of Ni(CO)4

Résumé

Rovibrational spectra of the C--O stretch band ν5 of Ni(CO)4 have been recorded at 0.006 cm-1 resolution by coupling a low pressure continuous supersonic jet with a high resolution interferometer. The spectrum has been analyzed thanks to the STDS software (see http://icb.u-bourgogne.fr/OMR/SMA/SHTDS/) that implements the tensorial formalism developed in the Dijon group for tetrahedral molecules. We obtain a very satisfying simulation thanks to an effective Hamiltonian expanded up to order 3. The asymmetry of the high-J lines is due to a small tetrahedral splitting and is well reproduced. The root mean square deviation is 0.96 10-3 cm-1. The Coriolis constant is somewhat larger than for other spherical-top carbonyls like Mo(CO)6 and W(CO)6 and, as a consequence, the level structure displays a standard three-branch structure, typical for triply degenerate fundamentals.
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Dates et versions

hal-00513161 , version 1 (01-09-2010)

Identifiants

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Vincent Boudon, Pierre Asselin, Pascale Soulard. Jet-cooled FTIR spectroscopy and analysis of the ν5 C--O stretch fundamental of Ni(CO)4. Molecular Physics, 2008, A Special Issue on High Resolution Molecular Spectroscopy–Dijon 2007, 106 (09-10), pp.1135-1141. ⟨10.1080/00268970701765795⟩. ⟨hal-00513161⟩
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