Computational mechanistic studies on enantioselective pybox-ruthenium-catalyzed cyclopropanation reactions
…, JI García, MJ Gil, V Martínez-Merino, JA Mayoral…
文献索引：Cornejo, Alfonso; Fraile, Jose M.; Garcia, Jose I.; Garcia-Verdugo, Eduardo; Gil, Maria J.; Legarreta, Gorka; Luis, Santiago V.; Martinez-Merino, Victor; Mayoral, Jose A. Organic Letters, 2002 , vol. 4, # 22 p. 3927 - 3930
The mechanism of the pybox-ruthenium (II)-catalyzed cyclopropanation reaction of olefins with diazo compounds has been extensively investigated by means of DFT calculations. The theoretical results show excellent agreement with the experimental observations and allow a mechanistic explanation to be advanced concerning the origin of the stereoselectivities observed. The explanation is based on the intermolecular steric interaction between the ...
