Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1325610 | Journal of Organometallic Chemistry | 2006 | 6 Pages |
Abstract
Six titanium pentafulvene complexes are theoretically investigated and indicate a gradual change of the fulvene ligand coordination to the titanium center for dianionic η5, η1- to olefinic η6-coordination. Time-dependant DFT calculations reproduce the experimental UV data reasonably well. The absorption maxima correspond to a ligand-to-metal charge transfer from the HOMO to the LUMO+1 of the complexes.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Rainer Koch, Eva Bölter, Jörg Stroot, Rüdiger Beckhaus,