Theoretical investigation of the formation of five-membered metallacycles by reaction of CO with metallacyclobutenones: Differences between Ni and Pt

Stuart A. Macgregor, Eric Wenger

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Reactions of CO with nickel or platinum complexes of cyclic alkynes or arynes form initially metallacyclobutenone species, which undergo further insertion of CO to give five-membered metallacycles. The differences in regioselectivity observed for nickel or platinum have been investigated computationally by DFT methods. Although both metals prefer insertion of the second CO via a five-coordinate mechanism, the formation of the five-membered nickelacycle is under thermodynamic control, leading to a symmetrical nickelacyclopentene-2,4-dione complex, whereas platinum yields the kinetically favoured platinacyclopentene-2,3-dione complex. © 2000 Elsevier Science S.A. All rights reserved.

Original languageEnglish
Pages (from-to)164-174
Number of pages11
JournalJournal of Organometallic Chemistry
Volume607
Issue number1-2
Publication statusPublished - 11 Aug 2000

Keywords

  • Acyl-complex
  • CO insertion
  • DFT calculation
  • Metallacycle
  • Nickel
  • Platinum

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