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Updated: Jul 6, 2025
08:46
Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of PhosphorusI
Published on: November 22, 2016
7.8K
High-pressure stabilization of open-shell bromine fluorides
Madhavi H Dalsaniya1,2, Deepak Upadhyay2, Krzysztof Jan Kurzydłowski1
1Faculty of Materials Science and Engineering, Warsaw University of Technology, 02-507 Warsaw, Poland. madhavi.dalsaniya.dokt@pw.edu.pl.
Physical Chemistry Chemical Physics : PCCP
|January 2, 2024
Summary
High pressure transforms bromine fluorides, creating novel stable compounds BrF2 and BrF6. Molecular orbital theory and VSEPR models explain their unique properties under extreme conditions.
Area of Science:
- Chemistry
- Materials Science
- Computational Chemistry
Background:
- Halogen fluorides typically illustrate molecular orbital theory and VSEPR models.
- Applicability of these models to high-pressure compounds remains an open question.
Purpose of the Study:
- Investigate phase transitions and reactivity of bromine fluorides under high pressure (>1 GPa).
- Explore the behavior of bromine-fluorine systems up to 100 GPa.
Main Methods:
- Computational study of bromine fluoride phase transitions.
- Thermodynamic stability analysis of compounds at high pressures.
Main Results:
- Bromine trifluoride (BrF3) becomes unstable at 15 GPa.
- Two new stable compounds, BrF2 and BrF6, emerge at high pressures.
- These novel compounds are predicted to be non-metallic and contain radical molecules.
Conclusions:
- Fundamental chemical concepts remain applicable to understanding high-pressure compounds.
- Predicts novel stable bromine fluoride species and a potential synthetic route for BrF2.
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