Title of article :
Does type of phosphine affect rotational barrier of vinylidene in the complexes OsHCl(Cdouble bond; length as m-dashCH2)(L)2 (L = phosphine)?
Author/Authors :
Alireza Ariafard، نويسنده , , Karim Zare، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Abstract :
Density functional molecular orbital calculations at the BP86 level were performed to investigate rotational barrier of vinylidene ligand in the model complexes OsHCl(Cdouble bond; length as m-dashCH2)(L)2 (L = PMe3, PH3, PF3). Results of calculations indicate that the rotational barrier increases with the increasing π-accepting ability of phosphine. This result has been explained on the basis of the extent of π-interaction between metal and vinylidene ligand in the complexes.
Keywords :
Vinylidene complexes , Phosphine , DFT study , Osmium
Journal title :
Inorganic Chemistry Communications
Journal title :
Inorganic Chemistry Communications