title: The platinum-olefin binding energy in series of (PH3)2Pt(olefin) complexes--a theoretical study.
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.
authors.affiliation: Department of Organic Technology, Institute of Chemical Technology, ICT Prague, Technická 5, Prague 6, Czech Republic.
authors.forename: David
authors.initials: D
authors.lastname: Karhánek
authors.forename: Petr
authors.initials: P
authors.lastname: Kacer
authors.forename: Marek
authors.initials: M
authors.lastname: Kuzma
authors.forename: Jana
authors.initials: J
authors.lastname: Splíchalová
authors.forename: Libor
authors.initials: L
authors.lastname: Cervený
mesh_terms: D000438:Alcohols / Q000737:chemistry; D000475:Alkenes / Q000737:chemistry*; D004355:Drug Stability; D005030:Ethylenes / Q000737:chemistry; D007659:Ketones / Q000737:chemistry; D008958:Models, Molecular; D009944:Organoplatinum Compounds / Q000737:chemistry*; D010720:Phosphines / Q000737:chemistry*
chemical_list: D000438:Alcohols; D000475:Alkenes; D005030:Ethylenes; D007659:Ketones; D009944:Organoplatinum Compounds; D010720:Phosphines; C036216:ethylene