Möbs, Martin ; Graubner, Tim ; Eklund, Kim ; Karttunen, Antti J. ; Kraus, Florian (2022)
Bromine Pentafluoride BrF₅, the Formation of [BrF₆]⁻ Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs.
In: Chemistry – A European Journal, 28 (72)
doi: 10.1002/chem.202202466
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
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 (R3, 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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2022 |
| Autor(en): | Möbs, Martin ; Graubner, Tim ; Eklund, Kim ; Karttunen, Antti J. ; Kraus, Florian |
| Art des Eintrags: | Bibliographie |
| Titel: | Bromine Pentafluoride BrF₅, the Formation of [BrF₆]⁻ Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs |
| Sprache: | Englisch |
| Publikationsjahr: | 2022 |
| Verlag: | Wiley-VCH |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Chemistry – A European Journal |
| Jahrgang/Volume einer Zeitschrift: | 28 |
| (Heft-)Nummer: | 72 |
| Kollation: | 15 Seiten |
| DOI: | 10.1002/chem.202202466 |
| Kurzbeschreibung (Abstract): | 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 (R3, 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. |
| Fachbereich(e)/-gebiet(e): | DFG-Sonderforschungsbereiche (inkl. Transregio) DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Anorganische Chemie DFG-Sonderforschungsbereiche (inkl. Transregio) > Sonderforschungsbereiche > SFB 1487: Eisen, neu gedacht! |
| Hinterlegungsdatum: | 09 Nov 2023 08:10 |
| Letzte Änderung: | 09 Nov 2023 08:10 |
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