Binary Lead Fluoride Pb<sub>3</sub>F<sub>8</sub>

Deubner, H. Lars; Sachs, Malte; Bandemehr, Jascha; Ivlev, Sergei I.; Karttunen, Antti J.; Kachel, Stefan R.; Klein, Benedikt P.; Ruppenthal, Lukas; Schöniger, Maik; Krug, Claudio K.; Herritsch, Jan; Gottfried, J. Michael; Aman, Jamal N. M.; Günne, Jörn Schmedt auf der; Kraus, Florian

doi:10.1002/chem.201903954

Cited by 5 publications

(8 citation statements)

References 36 publications

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“…Triple‐zeta‐valence+polarization (TZVP) level basis sets were applied for all atoms. The basis sets were derived from the Karlsruhe def‐TZVP basis sets and were taken from previous studies (B, O, F, Cl, Ge, Sn, Sb, Os, Pt, Au, Pb) or are described in the Supporting Information (Cr, Pd, Rh) [22,23,100–106] . All calculations were carried out with the CRYSTAL17 program package [107] .…”

Section: Experimental Partmentioning

confidence: 99%

“…The basis sets were derived from the Karlsruhe def-TZVP basis sets and were taken from previous studies (B, O, F, Cl, Ge, Sn, Sb, Os, Pt, Au, Pb) or are described in the Supporting Information (Cr, Pd, Rh). [22,23,[100][101][102][103][104][105][106] All calculations were carried out with the CRYSTAL17 program package. [107] Monkhorst-Pack type k-meshes used for sampling the reciprocal space are reported in the Supporting information.…”

Section: Quantum-chemical Calculationsmentioning

confidence: 99%

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Photochemistry with ClF₃ – An Access to [ClOF₂]⁺ Salts

Scheibe

Karttunen

Kraus

2022

Zeitschrift anorg allge chemie

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A route to salts of the [ClOF2]+ cation is described that does not require the parent fluoride ClOF3 as a starting material. These can be obtained when either metals such as Cr, Rh, Pd and Au, halides such as PtCl2, SnF2 and PbF4, or oxides such as B2O3, OsO4, GeO2, SnO and Sb2O4 are reacted with ClF3 and additional O2, where necessary, under UV irradiation. Cr, Rh, Pd, PtCl2, GeO2, and SnO formed salts with the respective hexafluoridometallate(IV) anion with the composition [ClOF2]2[MF6]. They crystallize in two distinct structure types in either the monoclinic crystal system (M=Cr, Rh, Ge) or the orthorhombic one (M=Pd, Pt, Sn). The fluorides SnF2 and PbF4 were converted to the monoclinic salts [ClOF2]MF5, and B2O3 formed orthorhombic [ClOF2][BF4]. The triclinic compound ([ClOF2][OsO3F3])2⋅OsF6 was obtained from OsO4 and contains a neutral co‐crystallized OsF6 molecule. A monoclinic double salt with the composition [ClOF2]2[AuF4][SbF6] was obtained by reacting a mixture of Sb2O4 and Au. The compounds were investigated by single crystal X‐ray diffraction and IR and Raman spectroscopy. Quantum‐chemical calculations for the solid‐state allowed for the band assignments of the vibrational spectra.

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Section: Experimental Partmentioning

confidence: 99%

Section: Quantum-chemical Calculationsmentioning

confidence: 99%

Photochemistry with ClF₃ – An Access to [ClOF₂]⁺ Salts

Scheibe

Karttunen

Kraus

2022

Zeitschrift anorg allge chemie

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“…This effect is often referred to as “sterically active lone‐pairs” of the Pb II atoms. The difference electron density of PbF[Br 2 F 7 ] displays remarkable similarities to the difference electron density of Pb 3 F 8 which exhibits a related ladder‐like structural motif of Pb II and F atoms …”

Section: Resultsmentioning

confidence: 98%

“…After evaporation of the solvent at room temperature, PbF[Br 2 F 7 ], Pb 2 F 6 , and Pb 3 F 8 remain. The binary lead fluoride Pb 3 F 8 was recently reported …”

Section: Resultsmentioning

confidence: 99%

“…As stated above, the product of the room temperature reaction consists of the three microcrystalline phases PbF[Br 2 F 7 ], Pb 2 F 6 , [37] and Pb 3 F 8 . [38] The presence of the latter two compounds indicates that lead(II) is not stable in liquid BrF 3 at room temperature, but is slowly being oxidized to lead(IV), see Equation (2) and Equation (3). There, "BrF" is given for the sake of simplicity.…”

Section: Resultsmentioning

confidence: 99%

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PbF[Br₂F₇], a Fluoridobromate(III) of a p‐Block Metal

et al. 2019

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The compound PbF[Br 2 F 7 ] represents the first fluoridobromate(III) of a p-block element. It was synthesized in form of needle-shaped crystals among its colorless powder from the direct reaction of PbF 2 with BrF 3 . Powder X-ray diffraction, IR and Raman spectroscopy show that it was obtained in almost pure form with Pb 3 F 8 and Pb 2 F 6 as by-products. The single crystal structure was determined by X-ray diffraction. PbF[Br 2 F 7 ] crystallizes in space group P2 1 /c (No. 14) with a = 4.3698(3), b = 13.3767 (7), c = 12.0836(8) Å, = 97.509(5)°, V = 700.27(8) Å 3 , [a]

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Fluorides: Inorganic Solid‐State and Structural Chemistry

Kraus

2024

Encyclopedia of Inorganic and Bioinorganic Chemistry

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After an introduction of what is special in solid‐state fluorine chemistry, different synthetic methods relevant to the field are discussed. These span the whole range from classical solid‐state syntheses, over synthesis in solution to gas‐phase synthesis including modern tools like photochemistry. The following structural chemistry section explains the crystal structures and their structural relationships among selected binary, ternary, and quaternary fluorides. A discussion on the physical properties of fluorides such as magnetism, electrical conductivity, ionic conductivity, fluoride ion batteries, and phosphors for light‐emitting diodes (LEDs) follows. We close with a chapter called “Beyond the Standard—I Oxidation State of Fluorine” where the existence of elemental F 2 on planet Earth is explained and ways to putative polyfluorides are presented.

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Binary Lead Fluoride Pb₃F₈

Cited by 5 publications

References 36 publications

Photochemistry with ClF₃ – An Access to [ClOF₂]⁺ Salts

Photochemistry with ClF₃ – An Access to [ClOF₂]⁺ Salts

PbF[Br₂F₇], a Fluoridobromate(III) of a p‐Block Metal

Fluorides: Inorganic Solid‐State and Structural Chemistry

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Binary Lead Fluoride Pb3F8

Cited by 5 publications

References 36 publications

Photochemistry with ClF3 – An Access to [ClOF2]+ Salts

Photochemistry with ClF3 – An Access to [ClOF2]+ Salts

PbF[Br2F7], a Fluoridobromate(III) of a p‐Block Metal

Fluorides: Inorganic Solid‐State and Structural Chemistry

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Binary Lead Fluoride Pb₃F₈

Photochemistry with ClF₃ – An Access to [ClOF₂]⁺ Salts

Photochemistry with ClF₃ – An Access to [ClOF₂]⁺ Salts

PbF[Br₂F₇], a Fluoridobromate(III) of a p‐Block Metal