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Probing the Mechanism of the Double C—H (De)Activation Route of a Ru-Based Olefin Metathesis Catalyst

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Green Metathesis Chemistry

Abstract

A theoretical study of a double C—H activation mechanism that deactivates a family of second generation Ru-based catalysts is presented. DFT calculations are used to rationalize the complex mechanistic pathway from the starting precatalyst to the experimentally characterized decomposition products. In particular, we show that all the intermediates proposed by Grubbs and coworkers are indeed possible intermediates in the deactivation pathway, although the sequence of steps is somewhat different

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Salerno, via Ponte don Melillo, Fisciano, I-84084, Italy

    Albert Poater & Luigi Cavallo

Authors
  1. Albert Poater
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  2. Luigi Cavallo
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Corresponding author

Correspondence to Luigi Cavallo .

Editor information

Editors and Affiliations

  1. Romanian Academy, Institute of Organic Chemistry Bucharest, Romania

    Valerian Dragutan  & Ileana Dragutan  & 

  2. University of Liège, Institute of Chemistry Liège, Belgium

    Albert Demonceau

  3. Russian Academy of Sciences Topchiev Institute of Petrochemical Synthesis Moscow, Russia

    Eugene Sh. Finkelshtein

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Poater, A., Cavallo, L. (2010). Probing the Mechanism of the Double C—H (De)Activation Route of a Ru-Based Olefin Metathesis Catalyst. In: Dragutan, V., Demonceau, A., Dragutan, I., Finkelshtein, E.S. (eds) Green Metathesis Chemistry. NATO Science for Peace and Security Series A: Chemistry and Biology. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-3433-5_16

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