The platinum-olefin binding energy in series of (PH3)2Pt(olefin) complexes--a theoretical study

J Mol Model. 2007 Sep;13(9):1009-16. doi: 10.1007/s00894-007-0222-7. Epub 2007 Jul 14.

Abstract

Theoretical investigation of Pt(0)-olefin organometallic complexes containing tertiary phosphine ligands was focused on the strength of platinum-olefin electronic interaction. DFT theoretical study of electronic effects in a substantial number of ethylene derivatives was evaluated in terms of the Pt-olefin binding energy using MP2 correlation theory. Organometallics bearing coordinated olefins with general formula (R1R2C = CR3R4)Pt(PH3)2 [R = various substituents] had been selected, including olefins containing both electron-donor substituents as well as electron-withdrawing groups. The stability of the corresponding complexes increases with a strengthening electron-withdrawal ability of the olefin substituents.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alcohols / chemistry
  • Alkenes / chemistry*
  • Drug Stability
  • Ethylenes / chemistry
  • Ketones / chemistry
  • Models, Molecular
  • Organoplatinum Compounds / chemistry*
  • Phosphines / chemistry*

Substances

  • Alcohols
  • Alkenes
  • Ethylenes
  • Ketones
  • Organoplatinum Compounds
  • Phosphines
  • ethylene