Chem. J. Chinese Universities ›› 1990, Vol. 11 ›› Issue (10): 1155.
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Xue Shilei, Guo Hongyou, Cao Weiliang, Wang Zuoxin
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Abstract: The reductive elimination of RCOCo(H)2(CO)3, one of the key reaction in the hydro-formylation of olefins with cobalt carbonyl as a catalyst, has been studied in details by the semiemperi-cal method——ASED-MO. As a result, the reaction energy surfaces, reaction pathway, activation.energies and reaction heats have been obtained. On the basis, the authors have made a comparison between the results obtained here and others from previous paper on the key reaction of oxidative addition for hydrogen to species RCOCo(CO)3. The oxidative addition is a rate-determining step and the species RCOCo(H)2(CO)3 could be an unstable intermediate.
Key words: Hydroformylation of olefins, Reductive elimination, ASED-MO
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Xue Shilei, Guo Hongyou, Cao Weiliang, Wang Zuoxin. Theoretical Studies on the Reductive Elimination of RCOCo(H)2(CO), in the Hydroformylation of Olefins with Cobalt Carbonyl as Catalyst[J]. Chem. J. Chinese Universities, 1990, 11(10): 1155.
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http://www.cjcu.jlu.edu.cn/EN/Y1990/V11/I10/1155
