Back to Search
Start Over
Bromine Pentafluoride BrF 5 , the Formation of [BrF 6 ] - Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs.
- Source :
-
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2022 Dec 27; Vol. 28 (72), pp. e202202466. Date of Electronic Publication: 2022 Oct 31. - Publication Year :
- 2022
-
Abstract
- BrF <subscript>5</subscript> can be prepared by treating BrF <subscript>3</subscript> 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 BrF <subscript>5</subscript> was quantum chemically predicted and then observed as its low-temperature modification in space group P2 <subscript>1</subscript> /c by single crystal X-ray diffraction. BrF <subscript>5</subscript> reacts with the alkali metal fluorides AF (A=K, Rb) to form alkali metal hexafluoridobromates(V), A[BrF <subscript>6</subscript> ] the crystal structures of which have been determined. Both compounds crystallize in the K[AsF <subscript>6</subscript> ] structure type (R 3 ‾ ${\bar 3}$ , no. 148, hR24). For the species [BrF <subscript>6</subscript> ] <superscript>+</superscript> , BrF <subscript>5</subscript> , [BrF <subscript>6</subscript> ] <superscript>-</superscript> , and [IF <subscript>6</subscript> ] <superscript>-</superscript> , the chemical bonds and lone pairs on the heavy atoms were investigated by means of intrinsic bond orbital analysis.<br /> (© 2022 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.)
Details
- Language :
- English
- ISSN :
- 1521-3765
- Volume :
- 28
- Issue :
- 72
- Database :
- MEDLINE
- Journal :
- Chemistry (Weinheim an der Bergstrasse, Germany)
- Publication Type :
- Academic Journal
- Accession number :
- 36106827
- Full Text :
- https://doi.org/10.1002/chem.202202466