期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 54, 期 47, 页码 13912-13917出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201505512
关键词
metallocenes; metal-organic frameworks; molecular modeling; photochemistry; titanium
资金
- FWO Flanders [12S3415N, G.0486.12, G.0959.13, G.0256.14]
- KU Leuven through the Methusalem grant CASAS
- IAP 7/05 Functional Supramolecular Systems
- IWT
- Research Board of Ghent University
- National Science Council of Taiwan
- Yale University
- Ghent University
- Hercules Foundation
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1151726] Funding Source: National Science Foundation
The synthesis of titanium-carboxylate metal-organic frameworks (MOFs) is hampered by the high reactivity of the commonly employed alkoxide precursors. Herein, we present an innovative approach to titanium-based MOFs by the use of titanocene dichloride to synthesize COK-69, the first breathing Ti MOF, which is built up from trans-1,4-cyclo-hexanedicarboxylate linkers and an unprecedented [Ti-3(IV)(mu(3)-O)(O)(2)(COO)(6)] cluster. The photoactive properties of COK-69 were investigated in depth by proton-coupled electron-transfer experiments, which revealed that up to one Ti-IV center per cluster can be photoreduced to Ti-III while preserving the structural integrity of the framework. The electronic structure of COK-69 was determined by molecular modeling, and a band gap of 3.77 eV was found.
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