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Construction of Heterometallic Cubanes
1Departamento de Química Inorgánica Universidad de Alcalá, Campus Universitario 28871 Alcalá de Henares-Madrid (Spain).
Angewandte Chemie (International Ed. in English)
|February 12, 2000
Summary
New heterometallic clusters with a cubane structure were synthesized by incorporating M(CO)(3) fragments into trinuclear titanium complexes. Density functional calculations reveal electron delocalization within the titanium-metal cores.
Area of Science:
- Organometallic Chemistry
- Inorganic Chemistry
- Materials Science
Background:
- Trinuclear titanium complexes are known precursors in coordination chemistry.
- The synthesis of novel heterometallic clusters with unique structural motifs is an active area of research.
Purpose of the Study:
- To synthesize and characterize a new class of heterometallic clusters.
- To investigate the electronic properties of these novel cubane-type titanium-metal complexes.
Main Methods:
- Synthesis of trinuclear titanium complexes incorporating M(CO)(3) fragments (M=Cr, Mo, W).
- Characterization of the resulting heterometallic clusters with cubane structures.
- Density functional theory (DFT) calculations to probe electronic delocalization.
Main Results:
- Formation of unprecedented heterometallic clusters possessing a cubane structure.
- Evidence of electron delocalization within the Ti(3)M cores (M=Cr, Mo, W).
Conclusions:
- The incorporation of M(CO)(3) fragments into trinuclear titanium complexes yields novel cubane-type heterometallic clusters.
- DFT calculations confirm significant electron delocalization in these Ti(3)M systems, highlighting unique electronic properties.