Ba2[WO3F(IO3)][WO3F2]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond

Hou, Ying; Li, Hongyi; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jing; Wu, Yicheng

doi:10.1039/d2dt02085h

Cited by 3 publications

(1 citation statement)

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“…The Mo analogue, [MoO 3 F] À , has also been synthesized and characterized by SCXRD [3,4] whereas [WO 3 F] À has been proposed in the electrodepositions of tungsten from ZnCl 2 -NaCl-KCl-KF-WO 3 melts. [5] Although there are no reports of a [CrO 3 F 2 ] 2À salt that has been structurally characterized by SCXRD, the crystal structures of the [MO 3 F 2 ] 2À (M = Mo, [6] W [7] ) anions have been obtained for their Ba 2 + salts.…”

Section: Introductionmentioning

confidence: 99%

Chromium(VI) Oxyfluoride Dianions, [Cr₂O₄F₆]²⁻ and [CrO₂F₄]²⁻; Syntheses and Structures of [XeF₅]₂[Cr₂O₄F₆], [XeF₅]₂[Cr₂O₄F₆] ⋅ nX (X=HF, n=4; X=XeOF₄, n=2), and [XeF₅][Xe₂F₁₁][CrO₂F₄]

Bortolus,

Mercier,

Schrobilgen

2024

Chemistry A European J

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The fluorobasic character of the strong oxidative fluorinator, XeF6, and the oxidative resistance of the [XeF5]+ and [Xe2F11]+ cations have been exploited for the syntheses of several novel Cr(VI) dianions. The reactions of XeF6 and CrO2F2 in anhydrous HF and in melts by direct fusion of the reactants yielded the first dinuclear Cr(VI) oxyfluoro‐dianion salts, [XeF5]2[Cr2O4F6], [XeF5]2[Cr2O4F6]∙4HF, [XeF5]2[Cr2O4F6]∙2XeOF4, and mononuclear Cr(VI) oxyfluoro‐dianion salt, [XeF5][Xe2F11][CrO2F4]. The salts were structurally characterized by low‐temperature (LT) single‐crystal X‐ray diffraction (SCXRD) and LT Raman spectroscopy. The [CrO2F4]2− and [Cr2O4F6]2− dianions have distorted octahedral cis‐dioxo Cr(VI) coordination spheres in which two F‐atoms are trans to one another and two F‐atoms are trans to O‐atoms. The [Cr2O4F6]2− dianion is the fluorine‐bridged dimer of the [CrO2F3]− anion. Quantum‐chemical (QC) calculations were used to obtain the energy‐minimized, gas‐phase geometries, and the calculated vibrational spectra of the gas‐phase dianions and their ion‐pairs which were used to aid in the vibrational frequency assignments of the crystalline salts. NBO and MEPS analyses and SCXRD show these salts are intimate ion‐pairs in which their cations and anions interact through primarily electrostatic Xe‐‐‐F σ‐hole bonds.

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Section: Introductionmentioning

confidence: 99%

Chromium(VI) Oxyfluoride Dianions, [Cr₂O₄F₆]²⁻ and [CrO₂F₄]²⁻; Syntheses and Structures of [XeF₅]₂[Cr₂O₄F₆], [XeF₅]₂[Cr₂O₄F₆] ⋅ nX (X=HF, n=4; X=XeOF₄, n=2), and [XeF₅][Xe₂F₁₁][CrO₂F₄]

Bortolus,

Mercier,

Schrobilgen

2024

Chemistry A European J

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Recent advances in F-containing iodate nonlinear optical materials

Gao¹,

Wu²,

Hu³

et al. 2023

Chinese Journal of Structural Chemistry

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A survey of stereoactive oxysalts for linear and nonlinear optical applications

Mao

Kong

2023

Materials Today Physics

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Ba₂[WO₃F(IO₃)][WO₃F₂]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond

Abstract: The introduction of the transition metal cations with d0 electron configurations and F in the iodate systems generates a new polar compound, Ba2[WO3F(IO3)][WO3F2], which features the first example of direct...

Cited by 3 publications

References 42 publications

Chromium(VI) Oxyfluoride Dianions, [Cr₂O₄F₆]²⁻ and [CrO₂F₄]²⁻; Syntheses and Structures of [XeF₅]₂[Cr₂O₄F₆], [XeF₅]₂[Cr₂O₄F₆] ⋅ nX (X=HF, n=4; X=XeOF₄, n=2), and [XeF₅][Xe₂F₁₁][CrO₂F₄]

Chromium(VI) Oxyfluoride Dianions, [Cr₂O₄F₆]²⁻ and [CrO₂F₄]²⁻; Syntheses and Structures of [XeF₅]₂[Cr₂O₄F₆], [XeF₅]₂[Cr₂O₄F₆] ⋅ nX (X=HF, n=4; X=XeOF₄, n=2), and [XeF₅][Xe₂F₁₁][CrO₂F₄]

Recent advances in F-containing iodate nonlinear optical materials

A survey of stereoactive oxysalts for linear and nonlinear optical applications

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Ba2[WO3F(IO3)][WO3F2]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond

Abstract: The introduction of the transition metal cations with d0 electron configurations and F in the iodate systems generates a new polar compound, Ba2[WO3F(IO3)][WO3F2], which features the first example of direct...

Cited by 3 publications

References 42 publications

Chromium(VI) Oxyfluoride Dianions, [Cr2O4F6]2− and [CrO2F4]2−; Syntheses and Structures of [XeF5]2[Cr2O4F6], [XeF5]2[Cr2O4F6] ⋅ nX (X=HF, n=4; X=XeOF4, n=2), and [XeF5][Xe2F11][CrO2F4]

Chromium(VI) Oxyfluoride Dianions, [Cr2O4F6]2− and [CrO2F4]2−; Syntheses and Structures of [XeF5]2[Cr2O4F6], [XeF5]2[Cr2O4F6] ⋅ nX (X=HF, n=4; X=XeOF4, n=2), and [XeF5][Xe2F11][CrO2F4]

Recent advances in F-containing iodate nonlinear optical materials

A survey of stereoactive oxysalts for linear and nonlinear optical applications

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Product

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Ba₂[WO₃F(IO₃)][WO₃F₂]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond

Chromium(VI) Oxyfluoride Dianions, [Cr₂O₄F₆]²⁻ and [CrO₂F₄]²⁻; Syntheses and Structures of [XeF₅]₂[Cr₂O₄F₆], [XeF₅]₂[Cr₂O₄F₆] ⋅ nX (X=HF, n=4; X=XeOF₄, n=2), and [XeF₅][Xe₂F₁₁][CrO₂F₄]

Chromium(VI) Oxyfluoride Dianions, [Cr₂O₄F₆]²⁻ and [CrO₂F₄]²⁻; Syntheses and Structures of [XeF₅]₂[Cr₂O₄F₆], [XeF₅]₂[Cr₂O₄F₆] ⋅ nX (X=HF, n=4; X=XeOF₄, n=2), and [XeF₅][Xe₂F₁₁][CrO₂F₄]