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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Kraus, Florian
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (18/18 displayed)
- 2024[Br4F21]− - a unique molecular tetrahedral interhalogen ion containing a μ4-bridging fluorine atom surrounded by BrF5 moleculescitations
- 2022Photochemistry with ClF3 – An Access to [ClOF2]+ Saltscitations
- 2022Bromine Pentafluoride BrF5, the Formation of [BrF6]− Salts, and the Stereochemical (In)activity of the Bromine Lone Pairscitations
- 2021DFT-Guided Crystal Structure Redetermination and Lattice Dynamics of the Intermetallic Actinoid Compound UIrcitations
- 2021Barium bis[tetrafluoridobromate(III)]citations
- 2021Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(iv), U(iv), Np(iv)) by a 4-phosphoryl 1H-pyrazol-5-olate ligand in solution and the solid statecitations
- 2021Photochemistry with Chlorine Trifluoride : Syntheses and Characterization of Difluorooxychloronium(V) Hexafluorido(non)metallates(V), [ClOF2][MF6] (M=V, Nb, Ta, Ru, Os, Ir, P, Sb)citations
- 2020Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction datacitations
- 2020Reactions in Anhydrous Liquid Ammonia : Syntheses and Crystal Structures of [M(NH3)8]I2 (M = Eu, Yb) with Bicapped Trigonal-Prismatic Octaammine Lanthanoid(II) Cations
- 2019Evolutionary Algorithm-Based Crystal Structure Prediction for Copper (I) Fluoridecitations
- 2019Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction datacitations
- 2019Crystal Structures of α- And β-Nitrogen Trifluoridecitations
- 2019Half-metallicity in uranium intermetallicscitations
- 2019Synthesis and Characterization of [Br 3 ][MF 6 ] (M=Sb, Ir), as well as Quantum Chemical Study of [Br 3 ] + citations
- 2019Reactions of KBrF4 with platinum metalscitations
- 2018Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction datacitations
- 2012Uranyl Halides from Liquid Ammoniacitations
- 2011The Complex Amide K-2[Zr(NH2)(6)]citations
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article
Bromine Pentafluoride BrF5, the Formation of [BrF6]− Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs
Abstract
We thank the precision mechanics workshop of our department for making the photoreactor and Solvay for the kind donation of fluorine. Furthermore, we would like to thank Dr. Magnus Buchner and the co-workers of our NMR service department for performing the NMR experiments. We thank Drs. Sergei Ivlev and Matthias Conrad for helpful discussions. A.J.K. and K.E. thank CSC – the Finnish IT Center for Science for computational resources. Open Access funding enabled and organized by Projekt DEAL. ; BrF5 can be prepared by treating BrF3 with fluorine under UV light in the region of 300 to 400 nm at room temperature. It was analyzed by UV-Vis, NMR, IR and Raman spectroscopy. Its crystal structure was redetermined by X-ray diffraction, and its space group was corrected to Pnma. Quantum-chemical calculations were performed for the band assignment of the vibrational spectra. A monoclinic polymorph of BrF5 was quantum chemically predicted and then observed as its low-temperature modification in space group P21/c by single crystal X-ray diffraction. BrF5 reacts with the alkali metal fluorides AF (A=K, Rb) to form alkali metal hexafluoridobromates(V), A[BrF6] the crystal structures of which have been determined. Both compounds crystallize in the K[AsF6] structure type (R (Formula presented.), no. 148, hR24). For the species [BrF6]+, BrF5, [BrF6]−, and [IF6]−, the chemical bonds and lone pairs on the heavy atoms were investigated by means of intrinsic bond orbital analysis. ; Peer reviewed