Oxo frameworks in molecular compounds - Early stage modelling, tailored structural motifs for novel materials and water reactivity (A04)

• Subject Area: Inorganic Molecular Chemistry - Synthesis and Characterisation
• Term: from 2014 to 2018
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 234149247

The project aims at (i) gathering information on the early stages of oxide formation, (ii) modelling the behaviour of certain units inherent to more extended oxides (defect formation and dissolution events), and (iii) generating precursors for novel materials. It will thus utilise molecular synthesis to create well-defined silicate frameworks that incorporate iron or aluminium atoms targeting both molecular cut-outs of known solids but also novel structural motifs and electronic situations. Progressing towards goals (i-iii) in the next step the reactivity of the envisaged compounds in contact with water, protons and hydroxide will studied. Beyond that, their properties as “ligands“ for cations (mineral mimicking) will be tested.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1109: Understanding of Oxide/Water Systems at the Molecular Scale: Structural Evolution, Interfaces and Dissolution
• Major Instrumentation: Spectrometer
• Instrumentation Group: 8520 Kryostaten, Tauchkühler (bis -100 Grd C)
• Applicant Institution: Humboldt-Universität zu Berlin
• Project Head: Professor Dr. Christian Limberg