Modeling the Direct Activation of Dihydrogen by a P₂C₂-Cyclic Biradical: Formation of a Cyclic Bis(P-H λ⁵-phosphorane)

Shigekazu Ito Department of Applied Chemistry, Graduate School of Science and Engineering, Tokyo Institute of Technology, Ookayama, Tokyo, Japan

Joji Miura Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Japan

Noboru Morita Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Japan

Masaaki Yoshifuji Department of Chemistry, The University of Alabama, Tuscaloosa, Alabama, USA

Anthony J. Arduengo III Department of Chemistry, The University of Alabama, Tuscaloosa, Alabama, USA

Abstract

1-tert-Butyl-3-methyl-2,4-bis(2,4,6-tri-tert-butylphenyl)-1,3-diphosphacyclobutane-2,4-diyl reacts with hydride followed by proton quench to give a 2,4-diphospha-1,3-cyclobutadiene with diylidic structure.

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Acknowledgments

We thank Professor David A. Dixon and Dr. Shenggang Li, The University of Alabama, for their helpful comments and MP2 single-point calculations.

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Modeling the Direct Activation of Dihydrogen by a P₂C₂-Cyclic Biradical: Formation of a Cyclic Bis(P-H λ⁵-phosphorane)

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Modeling the Direct Activation of Dihydrogen by a P2C2-Cyclic Biradical: Formation of a Cyclic Bis(P-H λ5-phosphorane)

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Modeling the Direct Activation of Dihydrogen by a P₂C₂-Cyclic Biradical: Formation of a Cyclic Bis(P-H λ⁵-phosphorane)