Orbital Interactions in the Ruthenium Olefin Metathesis Catalysts
作者： Cherumuttathu H. Suresh , Nobuaki Koga
DOI: 10.1021/OM034011N
关键词: Olefin fiber 、 Agostic interaction 、 Metathesis 、 Chemistry 、 Atomic orbital 、 Crystallography 、 Stereochemistry 、 Catalysis 、 Ruthenium 、 Potential energy surface 、 Metal
摘要: The structural and bonding interactions of the ruthenacyclobutane 4 suggested its nonclassical nature. A strong interaction between orbitals −CH2CH2CH2− fragment dy2 orbital on metal in was found that indicated presence two α-CC agostic complex. Further, transition state corresponding to rate-determining step metathesis, mutually benefiting π exist RuCH2 olefin fragments. These features are important metathesis activity Grubbs first-generation catalyst because they make potential energy surface M(CH2)(C2H4) ↔ M(C2H4)(CH2) region flat.
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