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Theoretical Evidence of the Stabilization of an Unusual Four-Membered Metallacycloallene by a Transition-Metal Fragment

Authors

  • Subhendu Roy,

    1. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore-560012 (India)
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  • Prof. Dr. Eluvathingal D. Jemmis,

    Corresponding author
    1. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore-560012 (India)
    2. Indian Institute of Science Education and Research, Thiruvananthapuram, CET Campus, TVM-695016 (India)
    • Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore-560012 (India)
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  • Prof. Dr. Axel Schulz,

    Corresponding author
    1. Abteilung Anorganische Chemie, Institut für Chemie, Universität Rostock, Albert-Einstein-Strasse 3a, 18059 Rostock (Germany)
    • Abteilung Anorganische Chemie, Institut für Chemie, Universität Rostock, Albert-Einstein-Strasse 3a, 18059 Rostock (Germany)
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  • Dr. Torsten Beweries,

    1. Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock (Germany)
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  • Prof. Dr. Uwe Rosenthal

    Corresponding author
    1. Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock (Germany)
    • Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock (Germany)
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  • S.R. and E.D.J. acknowledge the SERC of IISc for computational resources and the DST, New Delhi, India for financial support (J.C. Bose Fellowship).

Abstract

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Connect five: Theoretical studies reveal that a Group 4 metal can significantly stabilize an unusual four-membered metallacycloallene. The role of the substituents R that donate two electrons to the complex is decisive. The systems contain an unprecedented crucial M[BOND]C bond in the MC3 ring (see scheme; Cp=cyclopentadienyl, NHC=N-heterocyclic carbene).

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