Abstract
Density functional molecular orbital calculations at the BP86 level were performed to investigate rotational barrier of vinylidene ligand in the model complexes OsHCl(C=CH 2)(L) 2 (L = PMe 3, PH 3, PF 3). 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.
| Original language | English |
|---|---|
| Pages (from-to) | 999-1002 |
| Number of pages | 4 |
| Journal | Inorganic Chemistry Communications |
| Volume | 7 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - Sept 2004 |
| Externally published | Yes |