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Formation of the silylene-bridged complex Fe2(CO)6(μ2-SiCl2)3 from cis-Fe(CO)4(SiCl3)2: an experimental and computational study

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Abstract

Thermolysis of cis-Fe(CO)4(SiCl3)2 results in the formation of the novel compound Fe2(CO)6(μ2-SiCl2)3, which was characterized by single crystal X-ray diffraction. Density functional theory calculations were carried out to elucidate possible reaction steps leading to the formation of Fe2(CO)6(SiCl2)3, including CO dissociation and chlorine abstraction by a SiCl3 radical generated from homolytic Fe–Si bond cleavage involving a singlet–triplet intersystem crossing.

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Acknowledgments

This work was supported by Shell Corp., The Netherlands.

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Authors and Affiliations

  1. Institute of Materials Chemistry, Vienna University of Technology, Vienna, Austria

    Van An Du, Maria Bendova & Ulrich Schubert

  2. Institute of Applied Synthetic Chemistry, Vienna University of Technology, Vienna, Austria

    Gregor N. Stipicic

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  1. Van An Du
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  2. Gregor N. Stipicic
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  3. Maria Bendova
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  4. Ulrich Schubert
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Correspondence to Ulrich Schubert.

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Du, V.A., Stipicic, G.N., Bendova, M. et al. Formation of the silylene-bridged complex Fe2(CO)6(μ2-SiCl2)3 from cis-Fe(CO)4(SiCl3)2: an experimental and computational study. Monatsh Chem 141, 671–675 (2010). https://doi.org/10.1007/s00706-009-0240-5

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  • DOI: https://doi.org/10.1007/s00706-009-0240-5

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