Affordable Access

Publisher Website

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

Authors
Journal
Journal of Organometallic Chemistry
0022-328X
Publisher
Elsevier
Publication Date
Volume
607
Identifiers
DOI: 10.1016/s0022-328x(00)00333-8
Keywords
  • Platinum
  • Nickel
  • Acyl-Complex
  • Co Insertion
  • Dft Calculation
  • Metallacycle
Disciplines
  • Computer Science
  • Physics

Abstract

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.

There are no comments yet on this publication. Be the first to share your thoughts.