Investigation of High Oxidation States by Matrix-Isolation Spectroscopy in Neat Fluorine Matrices

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The research that we propose to undertake at the Albert-Ludwigs Universität Freiburg at the Institut für Anorganische und Analytische Chemie is primarily aimed at developing the chemistry of highly oxidized transition metals. The dominate emphasis will be on matrix-isolation spectroscopy, fluorine chemistry and quantum-chemical calculations and can be summarized as “Computer Aided Synthesis of Highly Oxidized Species”. Accordingly to this guideline we have planned to investigate thermochemical and kinetic stabilities of highly oxidized molecules or intermediates by state-of-the-art quantum-chemical calculations. Based on the calculations, possible candidates will be chosen for the proposed matrix-isolation experiments. As we are aiming for highly oxidized species, we like to develop the synthesis of the molecules in question in neat fluorine matrices. For instance the application of neat fluorine matrices together with laser ablated metals will push the transition metals under investigation to their highest oxidation limit. This new approach for example should result in a significant extension of the chemistry of this little studied field of high-valent fluorine compounds and our understanding of transition metal species in their highest oxidation states and at the limits of coordination. This is by no means only of academic interest, because several industrial processes employ highly oxidized species directly or as intermediates, and the precise mechanism is often still under debate and therefore demands further investigation.