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The [U2F12]2− Anion of Sr[U2F12]

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Atanasov,  Mihail
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Neese,  Frank
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Citation

Scheibe, B., Pietzonka, C., Mustonen, O., Karppinen, M., Karttunen, A. J., Atanasov, M., et al. (2018). The [U2F12]2− Anion of Sr[U2F12]. Angewandte Chemie International Edition, 57(11), 2914-2918. doi:10.1002/anie.201800743.


Cite as: http://hdl.handle.net/21.11116/0000-0007-6E49-D
Abstract
The D2h‐symmetric dinuclear complex anion [U2F12]2− of pastel green Sr[U2F12] shows a hitherto unknown structural feature: The coordination polyhedra around the U atoms are edge‐linked monocapped trigonal prisms, the UV atoms are therefore seven‐coordinated. This leads to a U–U distance of 3.8913(6) Å. A weak UV–UV interaction is observed for the dinuclear [U2F12]2− complex and described by the antiferromagnetic exchange Jexp of circa −29.9 cm−1. The crystalline compound can be easily prepared from SrF2 and β‐UF5 in anhydrous hydrogen fluoride (aHF) at room temperature. It was studied by means of single crystal X‐ray diffraction, IR, Raman and UV/VIS spectroscopy, magnetic measurements, and by molecular as well as by solid‐state quantum chemical calculations.