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Etude théorique de la structure et de la réactivité de complexes organométalliques de lanthanides et d'actinides

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Figure

Figure 1. Experimentally postulated mechanism for the hydro- hydro-methylation of propene.
Table 1. Geometric Data for the Transition State 5 a [Sc]CH 2 CH(CH 3 ) 2 part [Sc]CH 3 part Sc - C c 2.37 Sc - C d 2.39 C c - H e 1.48 C d - H e 1.41 Sc-H c 2.38 Sc-H d 2.48 C c -H c 1.10 C d -H d 1.10 Sc-C c -H e 76.6 Sc-C d -H e 81.5
Figure 5. Optimized geometries (distances in Å) of the transition state (left) for allylic propene activation with Cp 2 ScCH 3 and the corresponding π-allyl complex (right)
Figure 6. Representation of the reactions competing with methane activation with schematic representation of the transition states; [Sc] ) Cp 2 Sc.
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