Article ID Journal Published Year Pages File Type
1325610 Journal of Organometallic Chemistry 2006 6 Pages PDF
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
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