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.
journal_name
J Mol Modeljournal_title
Journal of molecular modelingauthors
Karhánek D,Kacer P,Kuzma M,Splíchalová J,Cervený Ldoi
10.1007/s00894-007-0222-7subject
Has Abstractpub_date
2007-09-01 00:00:00pages
1009-16issue
9eissn
1610-2940issn
0948-5023journal_volume
13pub_type
杂志文章abstract::The UV absorption spectra of ten N,N'-bisarylmalonamides have been recorded in the range 200-400 nm in a set of selected solvents. The solute-solvent interactions have been analyzed on the basis of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the a...
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