Unique insertion mechanisms of bis-dehydro-β-diketiminato silylene

Tibor Szilvási, Kinga Nyíri, Tamás Veszprémi

Research output: Contribution to journalArticle

8 Citations (Scopus)


The unique insertion reactions of the first, stable six-membered-ring silylene ({HC[CMeN(R)]2}Si, R = 2,6-diisopropylphenyl) with eight reactants were investigated by the B3LYP/cc-pVTZ method. The initial step (IS) of all the reactions is the formation of an intermediate 1,4-adduct, IM, which will be then the starting point toward the different final states (FS). In this study three different mechanisms were found and studied to the 1,4-adduct and six reaction paths from the 1,4-adduct to the final products. On the basis of the results, the different reaction paths, the experimental insertion products, and the special reactivity of the six-membered-ring silylene have been explained.

Original languageEnglish
Pages (from-to)5344-5351
Number of pages8
Issue number20
Publication statusPublished - Oct 24 2011

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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