کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1323339 | 977280 | 2008 | 6 صفحه PDF | دانلود رایگان |
The detailed catalytic mechanisms on transfer hydrogenation of ketones are explored by employing the representative reaction of 3-pentanone and 2-propanol catalyzed by the model complex IrH3[(Me2PC2H4)2NH], derived from the catalyst IrH3[(iPr2PC2H4)2NH], with the aid of the density functional theory calculations. The geometrical transformation from an octahedron to a Y-type involved in the catalytic cycle is also elucidated in terms of molecular theory of transition metal complexes. The trend for the variation of Ir–N bond distance is also analyzed.
The detailed catalytic mechanisms on transfer hydrogenation of ketones are explored by employing the representative reaction of 3-pentanone and 2-propanol catalyzed by the model complex IrH3[(Me2PC2H4)2NH], derived from the catalyst IrH3[(iPr2PC2H4)2NH], with the aid of the density functional theory calculations.Figure optionsDownload as PowerPoint slide
Journal: Journal of Organometallic Chemistry - Volume 693, Issue 4, 15 February 2008, Pages 633–638