A DFT study on the mechanism of the [2+4] annulation of enals with α-amethylene cycloalkanones via N

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

【摘要】

：

In this work,the reaction mechanism of NHC-catalyzed [2+4] annulations reaction between enals and α-amethylene cycloalkanones [1] has been investigated using the DFT method at the M06-2X/6-31G(d,p).

【作者】

：

Zhenhua Zhu Yanyan Zhu Wenjing Zhang

【机构】

：

The College of Chemistry and Molecular Engineering,Zhengzhou University,Zhengzhou,Henan Province,450

【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】

：

NHC DBU DFT [2+4] Cycloaddition Mechanism

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　　In this work,the reaction mechanism of NHC-catalyzed [2+4] annulations reaction between enals and α-amethylene cycloalkanones [1] has been investigated using the DFT method at the M06-2X/6-31G(d,p).

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A DFT study on the mechanism of the [2+4] annulation of enals with α-amethylene cycloalkanones via N

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