• Mechanism for the Reaction of a Tungsten-Germylyne Complex with 𝛼, 𝛽-Unsaturated Ketones: A DFT Study

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    • Keywords

       

      Tungsten-germylyne complexes; 𝛼, 𝛽-unsaturated ketones; substituent effect; density functional theory.

    • Abstract

       

      In this report we present results of theoretical analysis for the reaction mechanism involving a tungsten-germylyne complex with 𝛼, 𝛽-unsaturated ketones. Three different substituents, namely H, Me and CF3 in 𝛼-position of the unsaturated ketones have been selected to account for a variety of experimental observations. The computed results for different unsaturated ketones are in good agreement with experimental evidence and suggest that the formation of the final product can be achieved through steric as well as electronic effects.

    • Author Affiliations

       

      Meng Li1 Qiaoqiao Yang1 Ran Fang2

      1. Department of Orthopaedics, Lanzhou General Hospital of Lanzhou Military District, Lanzhou 730050, P. R. China
      2. College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, P. R. China
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