Möbs, Martin ; Graubner, Tim ; Karttunen, Antti J. ; Kraus, Florian (2023)
[(μ₃‐F)(BrF₅)₃]⁻ – An Unprecedented Molecular Fluoridobromate(V) Anion in Cs[Br₃F₁₆].
In: Chemistry – A European Journal, 29 (49)
doi: 10.1002/chem.202301876
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The reaction of Cs[BrF₆] with BrF₅ gave the compound Cs[Br₃F₁₆] with the unprecedented propeller-shaped, C₃₋ symmetric [(μ₃-F)(BrF₅)₃]⁻ anion. All other currently known fluoridobromates(V) contain only octahedral [BrF₆]⁻ anions, which, unlike the related [IF₆]− anions, never exhibited stereochemical activity of the lone pair on the Br atoms. Despite the same coordination number of six for the Br atom in the [BrF₆]− and [(μ₃-F)(BrF₅)₃]⁻ anions, the longer μ₃-F−Br bonds provide additional space, allowing the lone pairs on the Br atoms to become stereochemically active. Cs[Br₃F₁₆] was characterized by single-crystal X-ray diffraction, Raman spectroscopy, and quantum-chemical calculations for both the solid-state compound and the isolated anion at 0 K. Intrinsic bond orbital calculations show that the μ₃-F−Br bond is essentially ionic in nature and also underpin the stereochemical activity of the lone pairs of the Br(V) atoms.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2023 |
| Autor(en): | Möbs, Martin ; Graubner, Tim ; Karttunen, Antti J. ; Kraus, Florian |
| Art des Eintrags: | Bibliographie |
| Titel: | [(μ₃‐F)(BrF₅)₃]⁻ – An Unprecedented Molecular Fluoridobromate(V) Anion in Cs[Br₃F₁₆] |
| Sprache: | Englisch |
| Publikationsjahr: | 31 Juli 2023 |
| Verlag: | Wiley-VCH |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Chemistry – A European Journal |
| Jahrgang/Volume einer Zeitschrift: | 29 |
| (Heft-)Nummer: | 49 |
| Kollation: | 5 Seiten |
| DOI: | 10.1002/chem.202301876 |
| Kurzbeschreibung (Abstract): | The reaction of Cs[BrF₆] with BrF₅ gave the compound Cs[Br₃F₁₆] with the unprecedented propeller-shaped, C₃₋ symmetric [(μ₃-F)(BrF₅)₃]⁻ anion. All other currently known fluoridobromates(V) contain only octahedral [BrF₆]⁻ anions, which, unlike the related [IF₆]− anions, never exhibited stereochemical activity of the lone pair on the Br atoms. Despite the same coordination number of six for the Br atom in the [BrF₆]− and [(μ₃-F)(BrF₅)₃]⁻ anions, the longer μ₃-F−Br bonds provide additional space, allowing the lone pairs on the Br atoms to become stereochemically active. Cs[Br₃F₁₆] was characterized by single-crystal X-ray diffraction, Raman spectroscopy, and quantum-chemical calculations for both the solid-state compound and the isolated anion at 0 K. Intrinsic bond orbital calculations show that the μ₃-F−Br bond is essentially ionic in nature and also underpin the stereochemical activity of the lone pairs of the Br(V) atoms. |
| 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 08:02 |
| Letzte Änderung: | 09 Nov 2023 08:02 |
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