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5. The DFT Studies to Mechanisms of the Cationic Cobalt(Ⅲ)Catalyzed Regioselective Intermolecular Cycli

The DFT Studies to Mechanisms of the Cationic Cobalt(Ⅲ)Catalyzed Regioselective Intermolecular Cycli

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：youjian_youjian

【摘 要】

：

The detailed mechanisms of the cationic cobalt(Ⅲ)catalyzed indole synthesis from the regioselective intermolecular cyclization of N-nitrosoanilines with alkynes were studied using the DFT method at th

【作 者】

：

Zhiyu Wang Wenjie Wang Yifei Guo Wanying Zhang Wenjing Zhang Mingsheng Tang 

【机 构】

：

College of Chemistry and Molecular Engineering,Zhengzhou University Zhengzhou,Henan Province 450001

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

Mechanism Cobalt(Ⅲ) Catalyze CMD DFT 

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　　The detailed mechanisms of the cationic cobalt(Ⅲ)catalyzed indole synthesis from the regioselective intermolecular cyclization of N-nitrosoanilines with alkynes were studied using the DFT method at the M06-L/6-31+G**/LanL2DZ level of theory,with the solvent effect stimulated by the SMD model.

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