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Article Dans Une Revue Journal of Physical Chemistry A Année : 2003

Permanent dipole of metal-benzene molecules : Evidence for long-range weakly bound states ?

Résumé

Electric deflection experiments have been performed on metal-benzene compounds (for scandium, vanadium, nickel, niobium, and tantalum). CASSCF + MRCI calculations are reported for Sc, V, and Ni complexes. The lowest energy structures correspond to long-range states (distance between the metal atom and the center of the benzene molecule superior to 4 Å), while the short-range states are metastable against dissociation. The comparison between experimental results and theory demonstrates the importance of these long-range states.

Dates et versions

hal-00152663 , version 1 (07-06-2007)

Identifiants

Citer

F. Rabilloud, D. Rayane, A. R. Allouche, R. Antoine, M. Aubert-Frécon, et al.. Permanent dipole of metal-benzene molecules : Evidence for long-range weakly bound states ?. Journal of Physical Chemistry A, 2003, 107 (51), pp.11347-11353. ⟨10.1021/jp035403a⟩. ⟨hal-00152663⟩
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