Issue 77, 2014
From the journal:

Chemical Communications

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

Liu Leo Liu,ac   Jun Zhu*b  and  Yufen Zhao*ad  

* Corresponding authors

a Department of Chemistry, College of Chemistry and Chemical Engineering, Key Laboratory for Chemical Biology of Fujian Province, Xiamen University, Xiamen 361005, Fujian, China
E-mail: yfzhao@xmu.edu.cn
Web: http://chem.xmu.edu.cn/group/yfzhao/zhao-home.html

b 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
E-mail: jun.zhu@xmu.edu.cn
Web: http://junzhu.chem8.org

c Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093-0343, USA

d Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China

Abstract

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.

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

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Article information

DOI
https://doi.org/10.1039/C4CC04610B
Article type
Communication
Submitted
17 Jun 2014
Accepted
30 Jul 2014
First published
01 Aug 2014
This article is Open Access
Creative Commons BY-NC license

Chem. Commun., 2014,50, 11347-11349

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

L. L. Liu, J. Zhu and Y. Zhao, Chem. Commun., 2014, 50, 11347 DOI: 10.1039/C4CC04610B

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