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(CN3H6)[FeIIFeIII(SO4)3(H2O)3]: A Framework Iron Sulfate with a Mixed S = 2 and S = 5/2 Honeycomb Lattice. / Гинга, Виктория Александровна; Сийдра, Олег Иоханнесович; Цирлин, Александр; Setzer, Annette; Чаркин, Дмитрий Олегович; Börner, Martin; Абдулина, Вероника Ринатовна; Иванов, Семён; Горбачевская, Дарья Александровна; Золотов, Никита.

In: Inorganic Chemistry, Vol. 62, No. 43, 30.10.2023, p. 17625-17633.

Research output: Contribution to journalArticlepeer-review

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Гинга, ВА, Сийдра, ОИ, Цирлин, А, Setzer, A, Чаркин, ДО, Börner, M, Абдулина, ВР, Иванов, С, Горбачевская, ДА & Золотов, Н 2023, '(CN3H6)[FeIIFeIII(SO4)3(H2O)3]: A Framework Iron Sulfate with a Mixed S = 2 and S = 5/2 Honeycomb Lattice', Inorganic Chemistry, vol. 62, no. 43, pp. 17625-17633. https://doi.org/10.1021/acs.inorgchem.3c02109

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Author

Гинга, Виктория Александровна ; Сийдра, Олег Иоханнесович ; Цирлин, Александр ; Setzer, Annette ; Чаркин, Дмитрий Олегович ; Börner, Martin ; Абдулина, Вероника Ринатовна ; Иванов, Семён ; Горбачевская, Дарья Александровна ; Золотов, Никита. / (CN3H6)[FeIIFeIII(SO4)3(H2O)3]: A Framework Iron Sulfate with a Mixed S = 2 and S = 5/2 Honeycomb Lattice. In: Inorganic Chemistry. 2023 ; Vol. 62, No. 43. pp. 17625-17633.

BibTeX

@article{cf08f56d22044271903eeef4d86bf36b,
title = "(CN3H6)[FeIIFeIII(SO4)3(H2O)3]: A Framework Iron Sulfate with a Mixed S = 2 and S = 5/2 Honeycomb Lattice",
abstract = "A new guanidinium-templated hydrated iron sulfate, [CN3H6][FeIIFeIII(SO4)3(H2O)3] (1), was prepared from strongly acidic aqueous solutions. Its crystal structure is comprised from FeIIIO6 and FeIIO3(H2O)3 octahedra linked by sulfate bridges forming a [FeIIFeII(SO4)3(H2O)3]- 3D framework with a layer-by-layer ordering of ferric and ferrous cations. The structural topology of the framework is related to the anhydrous rhombohedral mikasaite Fe2(SO4)3. The removal of part of the sulfate tetrahedra and the partial replacement of the Fe3+ cations in the [Fe3+2(SO4)3]0 framework by Fe2+ provide a negative charge and allow the incorporation of the protonated organic species in the voids. The compound 1 has been characterized by single-crystal X-ray diffraction, TG and DSC analyses, UV-vis-NIR spectroscopy, magnetic susceptibility, M{\"o}ssbauer spectroscopy, IR and Raman spectroscopy, and density functional band-structure calculations. The magnetic behavior of 1 shows an interplay of FeII (S = 2) and FeIII (S = 5/2) sublattices that exhibit different types of antiferromagnetic couplings, one FeIII-FeIII (J1 ∼ 6.1 K) and two FeII-FeIII couplings (J2 ∼ 1 K, J3 ∼ 5.9 K) within corrugated honeycomb layers. These ferrimagnetic layers are coupled antiparallel to each other, resulting in an overall antiferromagnetic order below TN = 31 K.",
author = "Гинга, {Виктория Александровна} and Сийдра, {Олег Иоханнесович} and Александр Цирлин and Annette Setzer and Чаркин, {Дмитрий Олегович} and Martin B{\"o}rner and Абдулина, {Вероника Ринатовна} and Семён Иванов and Горбачевская, {Дарья Александровна} and Никита Золотов",
year = "2023",
month = oct,
day = "30",
doi = "10.1021/acs.inorgchem.3c02109",
language = "English",
volume = "62",
pages = "17625--17633",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "43",

}

RIS

TY - JOUR

T1 - (CN3H6)[FeIIFeIII(SO4)3(H2O)3]: A Framework Iron Sulfate with a Mixed S = 2 and S = 5/2 Honeycomb Lattice

AU - Гинга, Виктория Александровна

AU - Сийдра, Олег Иоханнесович

AU - Цирлин, Александр

AU - Setzer, Annette

AU - Чаркин, Дмитрий Олегович

AU - Börner, Martin

AU - Абдулина, Вероника Ринатовна

AU - Иванов, Семён

AU - Горбачевская, Дарья Александровна

AU - Золотов, Никита

PY - 2023/10/30

Y1 - 2023/10/30

N2 - A new guanidinium-templated hydrated iron sulfate, [CN3H6][FeIIFeIII(SO4)3(H2O)3] (1), was prepared from strongly acidic aqueous solutions. Its crystal structure is comprised from FeIIIO6 and FeIIO3(H2O)3 octahedra linked by sulfate bridges forming a [FeIIFeII(SO4)3(H2O)3]- 3D framework with a layer-by-layer ordering of ferric and ferrous cations. The structural topology of the framework is related to the anhydrous rhombohedral mikasaite Fe2(SO4)3. The removal of part of the sulfate tetrahedra and the partial replacement of the Fe3+ cations in the [Fe3+2(SO4)3]0 framework by Fe2+ provide a negative charge and allow the incorporation of the protonated organic species in the voids. The compound 1 has been characterized by single-crystal X-ray diffraction, TG and DSC analyses, UV-vis-NIR spectroscopy, magnetic susceptibility, Mössbauer spectroscopy, IR and Raman spectroscopy, and density functional band-structure calculations. The magnetic behavior of 1 shows an interplay of FeII (S = 2) and FeIII (S = 5/2) sublattices that exhibit different types of antiferromagnetic couplings, one FeIII-FeIII (J1 ∼ 6.1 K) and two FeII-FeIII couplings (J2 ∼ 1 K, J3 ∼ 5.9 K) within corrugated honeycomb layers. These ferrimagnetic layers are coupled antiparallel to each other, resulting in an overall antiferromagnetic order below TN = 31 K.

AB - A new guanidinium-templated hydrated iron sulfate, [CN3H6][FeIIFeIII(SO4)3(H2O)3] (1), was prepared from strongly acidic aqueous solutions. Its crystal structure is comprised from FeIIIO6 and FeIIO3(H2O)3 octahedra linked by sulfate bridges forming a [FeIIFeII(SO4)3(H2O)3]- 3D framework with a layer-by-layer ordering of ferric and ferrous cations. The structural topology of the framework is related to the anhydrous rhombohedral mikasaite Fe2(SO4)3. The removal of part of the sulfate tetrahedra and the partial replacement of the Fe3+ cations in the [Fe3+2(SO4)3]0 framework by Fe2+ provide a negative charge and allow the incorporation of the protonated organic species in the voids. The compound 1 has been characterized by single-crystal X-ray diffraction, TG and DSC analyses, UV-vis-NIR spectroscopy, magnetic susceptibility, Mössbauer spectroscopy, IR and Raman spectroscopy, and density functional band-structure calculations. The magnetic behavior of 1 shows an interplay of FeII (S = 2) and FeIII (S = 5/2) sublattices that exhibit different types of antiferromagnetic couplings, one FeIII-FeIII (J1 ∼ 6.1 K) and two FeII-FeIII couplings (J2 ∼ 1 K, J3 ∼ 5.9 K) within corrugated honeycomb layers. These ferrimagnetic layers are coupled antiparallel to each other, resulting in an overall antiferromagnetic order below TN = 31 K.

UR - https://pubs.acs.org/doi/10.1021/acs.inorgchem.3c02109

UR - https://www.mendeley.com/catalogue/2b7066d0-3391-3817-9da3-a8175e1a832b/

U2 - 10.1021/acs.inorgchem.3c02109

DO - 10.1021/acs.inorgchem.3c02109

M3 - Article

VL - 62

SP - 17625

EP - 17633

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 43

ER -

ID: 113383916