TY - JOUR
T1 - Synthesis and characterization of barium tetrafluoridobromate(III) Ba(BrF4)2
AU - Ivlev, Sergey
AU - Sobolev, Vasily Igorevich
AU - Hoelzel, Markus
AU - Karttunen, Antti J.
AU - Müller, Thomas
AU - Gerin, Ivan
AU - Ostvald, Roman
AU - Kraus, Florian
PY - 2014
Y1 - 2014
N2 - Alkali and alkaline earth metal tetrafluoridobromates MIBrF4, MII(BrF4)2 (MI = Na-Cs, MII = Sr, Ba) can be synthesized from the respective fluorides and BrF3. The reaction of BaF2 with liquid BrF3 under Freon-113 leads to the formation of Ba(BrF4)2 as a colorless microcrystalline powder. Here, we discuss its formation kinetics and thermodynamics. The compound crystallizes in the tetragonal space group I$\bar {4}$ with a = 9.65081(11) Å, c = 8.03453(13) Å, V = 748.32(2) Å3, and Z = 4 at 27 C, and it is isotypic to Ba(AuF4)2. The structure contains square planar BrF4
- anions. The compound is stable at ambient conditions excluding moisture and at temperatures up to approximately 200 C. Solid-state computational calculations of the Raman and IR spectra are in good agreement with the experimentally obtained ones, and in combination with its powder X-ray diffraction pattern, density measurement, thermodynamics, elemental and EDXRF analyses, this shows that the compound is pure.
AB - Alkali and alkaline earth metal tetrafluoridobromates MIBrF4, MII(BrF4)2 (MI = Na-Cs, MII = Sr, Ba) can be synthesized from the respective fluorides and BrF3. The reaction of BaF2 with liquid BrF3 under Freon-113 leads to the formation of Ba(BrF4)2 as a colorless microcrystalline powder. Here, we discuss its formation kinetics and thermodynamics. The compound crystallizes in the tetragonal space group I$\bar {4}$ with a = 9.65081(11) Å, c = 8.03453(13) Å, V = 748.32(2) Å3, and Z = 4 at 27 C, and it is isotypic to Ba(AuF4)2. The structure contains square planar BrF4
- anions. The compound is stable at ambient conditions excluding moisture and at temperatures up to approximately 200 C. Solid-state computational calculations of the Raman and IR spectra are in good agreement with the experimentally obtained ones, and in combination with its powder X-ray diffraction pattern, density measurement, thermodynamics, elemental and EDXRF analyses, this shows that the compound is pure.
KW - Barium
KW - IR spectroscopy
KW - Raman spectroscopy
KW - Recycling
KW - Rietveld refinement
KW - Structure elucidation
KW - Tetrafluoridobromates
KW - Waste prevention
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U2 - 10.1002/ejic.201402849
DO - 10.1002/ejic.201402849
M3 - Article
AN - SCOPUS:84919608312
VL - 2014
SP - 6261
EP - 6267
JO - Chemische Berichte
JF - Chemische Berichte
SN - 0009-2940
IS - 36
ER -