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Abstract Details
From Homogeneous Catalysts to Anti-tumor Agents: Metal and Ligand K-edge XAS of Organotitanium Complexes
| Speaker | Serena DeBeer-George (SLAC SSRL) |
| Full Author List | Serena DeBeer-George (1), (none) (0), (none) (0), (none) (0), (none) (0), (none) (0), (none) (0), (none) (0), (none) (0), (none) (0) |
| Affiliations | 1. Stanford Synchrotron Radiation Laboratory, SLAC, Stanford University, Stanford, CA, USA,
2. (none),
3. (none),
4. (none),
5. (none),
6. (none),
7. (none),
8. (none),
9. (none),
10. (none) |
| Category | Materials Science |
| Abstract |
Titanium cyclopentadienyl (Cp) complexes play important roles as homogeneous polymerization catalysts and have recently received attention as potential anti-cancer agents. In order to systematically probe the contribution of the Cp to bonding in organotitanium complexes, Ti K-edge XAS has been applied to TiCl4 and then to the mono and bis-Cp complexes, TiCpCl3 and TiCp2Cl2. Ti K-edge XAS is used as a direct probe of metal 3d-4p mixing, and provides insight into the contribution of the Cp to bonding. These data are complimented by Cl K-edge XAS data, which provide a direct probe of the effect of the Cp on the bonding to the spectator chloride ligand. The experimental results are correlated to DFT calculations. A ligand field based model for metal 3d-4p mixing is proposed, which demonstrates that metal K- pre-edge intensities may be used as a measure of ligand-metal covalency in non-centrosymmetric environments.
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