高等学校化学学报 ›› 1990, Vol. 11 ›› Issue (10): 1155.
• 研究简报 • 上一篇 下一篇
薛石雷, 郭洪猷, 曹维良, 王作新
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国家自然科学基金
Xue Shilei, Guo Hongyou, Cao Weiliang, Wang Zuoxin
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摘要: 羰基钴催化烯烃醛化是一碳化学中的重要反应 在其催化循环过程中,RCOCo(CO)3与H2氧化加成生成RCOCO(H)2(CO)3[3],此中间体进一步还原消去生成醛是涉及氢在整个醛化反应催化循环中活化作用的关键步骤。
关键词: 烯烃醛化, 还原消去, ASED-MO
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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薛石雷, 郭洪猷, 曹维良, 王作新. 羰基钴催化烯烃醛化反应中RCOCo(H)2(CO)3还原消去关键步骤的理论研究. 高等学校化学学报, 1990, 11(10): 1155.
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. Chem. J. Chinese Universities, 1990, 11(10): 1155.
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http://www.cjcu.jlu.edu.cn/CN/Y1990/V11/I10/1155