Abstract
The insertion and ring opening of methylenecyclopropane (MCP) catalyzed by Cp2LnH (Ln = La and Lu) was investigated using DFT method. Geometries and energies of the reactants, minima, and transition states for this reaction were obtained. The present study indicates the formation of Cp2LaH-MCP complex followed by 1,2-insertion through a tetrahedral transition state with subsequent ring opening at the proximal bond via hydrogen transfer transition state resulting in the formation of the final product.
Original language | English |
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Pages (from-to) | 16210-16212 |
Number of pages | 3 |
Journal | Journal of the American Chemical Society |
Volume | 125 |
Issue number | 52 |
DOIs | |
Publication status | Published - 2003 Dec 31 |
ASJC Scopus subject areas
- Catalysis
- Chemistry(all)
- Biochemistry
- Colloid and Surface Chemistry