A Matrix-Isolation and Quantum-Chemical Investigation of FeF4


  • This work has been supported by the DFG project HA 5639/3-1 and the Fonds der Chemischen Industrie (FCI). We are grateful to the BWGrid cluster for providing computational resources and to Dr. Eicher from the Solvay Fluor GmbH for generous support with F2. We thank C. Roll, R. Tomm, and M. Melder from the technical workshop of the chemistry department for their help with the construction of the matrix chamber and the laser-ablation setup. We are also grateful to Prof. Ingo Krossing and Prof. Harald Hillebrecht for their generous and continuous support.


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Beyond iron trifluoride: Matrix-isolation IR spectroscopy and state-of-the-art quantum-chemical calculations have led to the characterization of iron tetrafluoride, a previously unknown species. FeF4 has been prepared by co-deposition of laser-ablated iron atoms with fluorine under excess of noble gases (neon and argon) at cryogenic temperatures.