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Synthesis, Characterization, and Crystal Structure of Tertiary Phosphine-Substituted Diiron Propanedithiolate Complexes

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Abstract

As the active site models of [FeFe]-hydrogenase, two new tertiary phosphine-substituted diiron propanedithiolate complexes [(μ-PDT)Fe2(CO)5L] (PDT = SCH2CH2CH2S, L = P(PhMe-m)3, 1; PPh2(CH2CH2CH3), 2) have been prepared through carbonyl substitution reactions of parent complex [(μ-PDT)Fe2(CO)6] (A) with P(PhMe-m)3 or PPh2(CH2CH2CH3) in the presence of the decarbonylating agent Me3NO·2H2O in MeCN at room temperature. The new complexes 1 and 2 were fully characterized by elemental analysis, FT-IR, 1H, 13C{1H}, and 31P{1H} NMR spectroscopy, as well as for 1 by X-ray crystallography. In addition, the crystal structure of 1 has indicated that the phosphorus atom of the P(PhMe-m)3 ligand resides in an apical position of the pseudo-square-pyramidal geometry of the tertiary phosphine-coordinated Fe2 atom.

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Acknowledgments

This work was financially supported by the National Natural Science Foundation of China (No. 21301160) and the Natural Science Foundation for Young Scholars of Shanxi Province (No. 2012021007-4).

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Authors and Affiliations

  1. Research Center for Engineering Technology of Polymeric Composites of Shanxi Province, College of Materials Science and Engineering, North University of China, Taiyuan, 030051, People’s Republic of China

    Pei-Hua Zhao, Sheng-Nan Liu & Ya-Qing Liu

  2. College of Public Health, Shanxi Medical University, Taiyuan, 030001, People’s Republic of China

    Yun-Feng Liu

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  1. Pei-Hua Zhao
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  2. Sheng-Nan Liu
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  3. Yun-Feng Liu
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Correspondence to Pei-Hua Zhao or Ya-Qing Liu.

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Zhao, PH., Liu, SN., Liu, YF. et al. Synthesis, Characterization, and Crystal Structure of Tertiary Phosphine-Substituted Diiron Propanedithiolate Complexes. J Clust Sci 25, 1331–1340 (2014). https://doi.org/10.1007/s10876-014-0711-7

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