The phosphaethynolate anion reacts with unsaturated bonds: DFT investigations into [2+2], [3+2] and [4+2] cycloadditions

Liu Liu; Jun Zhu; Yufen Zhao

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The phosphaethynolate anion reacts with unsaturated bonds: DFT investigations into [2+2], [3+2] and [4+2] cycloadditions

机译：磷胸苷酸根阴离子与不饱和键反应：对[2 + 2]，[3 + 2]和[4 + 2]环加成的DFT研究

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Density functional theory (DFT) calculations were carried out to investigate the [2+2], [3+2] and [4+2] cycloadditions of the phosphaethynolate anion (PCO~-). The results reveal that the electronic properties of different unsaturated compounds play a crucial role in reactivity and regioselectivity.

机译：进行了密度泛函理论（DFT）计算，以研究磷胸苷酸根阴离子（PCO〜-）的[2 + 2]，[3 + 2]和[4 + 2]环加成。结果表明，不同的不饱和化合物的电子性质在反应性和区域选择性中起着至关重要的作用。

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《Chemical Communications》 |2014年第77期|11347-11349|共3页
作者
Liu Liu; Jun Zhu; Yufen Zhao;
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作者单位

Department of Chemistry, College of Chemistry and Chemical Engineering, Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiamen 361005, Fujian, China,Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093-0343, USA;

State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian, China;

Department of Chemistry, College of Chemistry and Chemical Engineering, Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiamen 361005, Fujian, China,Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China;

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入库时间 2022-08-17 13:16:20

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The phosphaethynolate anion reacts with unsaturated bonds: DFT investigations into [2+2], [3+2] and [4+2] cycloadditions

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