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.
|Number of pages||11|
|Journal||Journal of Organometallic Chemistry|
|Publication status||Published - 11 Aug 2000|
- CO insertion
- DFT calculation