Experimental determinations and quantum-chemical calculations of the vibrational spectra of β-ZnB4O7 and β-CaB4O7

Kaindl, Reinhard; Sohr, Gerhard; Huppertz, Hubert

doi:10.1016/j.saa.2013.07.072

Cited by 34 publications

(24 citation statements)

References 15 publications

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“…The absorption bands observed in the range between 1200 and 1500 cm −1 are typical for triangular BO 3 groups. Since there are no BO 3 groups in the crystal structure of La 3 B 6 O 13 (OH), these absorptions are related to the corresponding B‐O‐B, O‐B‐O, and B‐O‐La vibrations, which has been verified for the oxoborates β‐ZnB 4 O 7 and β‐CaB 4 O 7 by ab initio quantum chemical calculations …”

Section: Resultsmentioning

confidence: 64%

La₃B₆O₁₃(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO₄ Tetrahedra

Fuchs

Heymann

Wang

et al. 2020

Chemistry A European J

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La 3 B 6 O 13 (OH) was obtained by ah igh-pressure/ high-temperature experiment at 6GPa and 1673 K. The compound crystallizesi nthe space group P2 1 (no. 4) with the lattice parameters a = 4.785(2), b = 12.880(4), c = 7.433(3) ,a nd b = 90.36(10)8,a nd is built up of corner-as well as edgesharing BO 4 tetrahedra. It represents the first acentric highpressure borate containing these B 2 O 6 entities. The com-pound developsb orate layers of "sechser"-ringsw ith the La 3 + cations positioned between the layers. Single-crystal and powder X-ray diffraction, vibrational and MAS NMR spectroscopy,s econd-harmonic generation (SHG) and thermoanalytical measurements, as well as computational methods wereu sed to affirm the proposed structure and the B 2 O 6 entities.Supporting information and the ORCID identification number(s) for the author(s) of this article can be found under: https://doi.org/10.

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Section: Resultsmentioning

confidence: 64%

La₃B₆O₁₃(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO₄ Tetrahedra

Fuchs

Heymann

Wang

et al. 2020

Chemistry A European J

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“…Bands in the region ν̃ ≈ 1450–1300 cm –1 are usually associated with the stretching vibrations of [BO 3 ] groups and are also discussed in the context of [B 2 O 6 ] units . As none of these structural motifs are realized in Ni 3 B 18 O 28 (OH) 4 · H 2 O, these bands presumably originate from various B–O–B, O–B–O, and B–O vibrations, as Kaindl et al demonstrated for β‐ZnB 4 O 7 . The wavenumber region below ca.…”

Section: Resultsmentioning

confidence: 89%

The High‐Pressure Nickel Borate Hydrate Ni₃B₁₈O₂₈(OH)₄·H₂O

et al. 2017

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A high-pressure/high-temperature experiment at 5 GPa/973 K revealed the existence of a new nickel borate hydrate. The crystal structure of Ni 3 B 18 O 28 (OH) 4 ·H 2 O was elucidated through X-ray single-crystal diffraction. The compound crystallizes in the hexagonal space group P62m (no. 189) with the lattice parameters a = 8.2599(4) Å, c = 7.6963(4) Å, and V = To date, seven nickel borates are listed in the Inorganic Crystal Structure Database (ICSD) and in the International Centre for Diffraction Data (ICDD) databases. Five of these compounds were synthesized at ambient or moderate pressure {Ni[B 6 O 7 (OH) 6 ]·5H 2 O, Ni(H 2 O) 4 [B 6 O 7 (OH) 6 ]·H 2 O, NiB 12 O 14 (OH) 10 , Ni 3 (BO 3 ) 2 , and Ni 2 B 2 O 5 }, and two were synthesized under highpressure conditions (HP-NiB 2 O 4 and -NiB 4 O 7 ). [1] Compared to the chemically and structurally related systems Fe-B-O(-H) and Co-B-O(-H), the number of reported nickel borates is small, especially as far as the high-pressure phases are concerned. As high-pressure syntheses of transition-metal borates already led to the discovery of numerous compounds with previously unknown compositions or new structural motifs, for example, Co 7 B 24 O 42 (OH) 2 ·2H 2 O, [2] Cd(NH 3 ) 2 [B 3 O 5 (NH 3 )] 2 , [3] HP-MB 2 O 4 (HP = high-pressure; M = Co, Ni), [1j,4] and -FeB 2 O 4 , [5] we were motivated to further explore the field of high-pressure nickel borates. The first result of these investigations was the synthesis of the third high-pressure nickel borate, γ-NiB 4 O 7 . [6] Our discovery of another hitherto unknown nickel borate during the optimization of the synthesis of γ-NiB 4 O 7 underlines the potential of high-pressure syntheses for research focused on the development of new materials. In this paper, we report the synthesis of Ni 3 B 18 O 28 (OH) 4 ·H 2 O and its characterization through X-ray single-crystal and powder diffraction, magnetic measurements, vibrational spectroscopy, and thermogravimetric analysis.[a]

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“…The absorption peaks between 1100 and 800 cm −1 are the typical tetrahedral borate BO 4 -groups. 36–38 Strong absorption bands were observed between 1450 and 1200 cm −1 and below 800 cm −1 , characteristic of triangular BO 3 -groups. 32,36 The bands at 647, 659 and 831 cm −1 were ascribed to OB 3 .…”

Section: Resultsmentioning

confidence: 99%

Efficient metal borate catalysts for oxidative dehydrogenation of propane

Qian

Sun

Huang

et al. 2022

Catal. Sci. Technol.

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Experimental determinations and quantum-chemical calculations of the vibrational spectra of β-ZnB4O7 and β-CaB4O7

Cited by 34 publications

References 15 publications

La₃B₆O₁₃(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO₄ Tetrahedra

La₃B₆O₁₃(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO₄ Tetrahedra

The High‐Pressure Nickel Borate Hydrate Ni₃B₁₈O₂₈(OH)₄·H₂O

Efficient metal borate catalysts for oxidative dehydrogenation of propane

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Experimental determinations and quantum-chemical calculations of the vibrational spectra of β-ZnB4O7 and β-CaB4O7

Cited by 34 publications

References 15 publications

La3B6O13(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO4 Tetrahedra

La3B6O13(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO4 Tetrahedra

The High‐Pressure Nickel Borate Hydrate Ni3B18O28(OH)4·H2O

Efficient metal borate catalysts for oxidative dehydrogenation of propane

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La₃B₆O₁₃(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO₄ Tetrahedra

La₃B₆O₁₃(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO₄ Tetrahedra

The High‐Pressure Nickel Borate Hydrate Ni₃B₁₈O₂₈(OH)₄·H₂O