A five-center rather than a four-center transition state for alkene insertion into the metal-alkyl bond of a cationic binuclear yttrium complex

作者：Luo Yi; Hou Zhaomin^*

来源：Organometallics, 2006, 25(26): 6162-6165.

DOI：10.1021/om060702i

• Insertion reactions
• Isoprene
• Metal centers
• Transition states

The insertion reactions of isoprene and ethylene into the Y-CH2SiH3 bond of a cationic binuclear yttrium complex are computationally investigated by use of the hybrid B3LYP density functional method. It has been found that these insertion reactions take place Via a kinetically preferable five-center transition state rather than a conventional four-center transition state that is well known for the mononuclear-complex-catalyzed alkene insertion reactions. The cooperative bonding of the two metal centers to an alkene moiety plays an important role for the stabilization of the five-center transition state in the present system.

• 出版日期2006-12-18