Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn2F5and Mn3F8

Jascha Bandemehr; Fabian Zimmerhofer; Sergei I. Ivlev; Clemens Pietzonka; Kim Eklund; Antti J. Karttunen; Hubert Huppertz; Florian Kraus

doi:10.1021/acs.inorgchem.1c01833

Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn₂F₅and Mn₃F₈

Jascha Bandemehr, Fabian Zimmerhofer, Sergei I. Ivlev, Clemens Pietzonka, Kim Eklund, Antti J. Karttunen, Hubert Huppertz, Florian Kraus^*

^*Tämän työn vastaava kirjoittaja

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

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Abstrakti

We obtained single crystals of the binary mixed-valent fluorides Mn2F5 and Mn3F8 using a high-pressure/high-temperature approach. Mn2F5 crystallizes isotypic to CaCrF5 in the monoclinic space group C2/c (No. 15), with a = 8.7078(8) Å, b = 6.1473(6) Å, c = 7.7817(7) Å, β = 117.41(1)°, V = 369.80(6) Å3, Z = 4, and mC28 at T = 173 K. Mn3F8 crystallizes in the monoclinic space group P21 (No. 4) with a = 5.5253(2) Å, b = 4.8786(2) Å, c = 9.9124(4) Å, β = 92.608(2)°, V = 266.92(2) Å3, Z = 2, and mP22 at T = 183 K and presents a new structure type. Crystal-chemical reasoning, CHARDI calculations, and quantum-chemical calculations allowed for the assignment of the oxidation states of the Mn atoms. In both bulk compounds, MnF2 was present as an impurity, as evidenced by powder X-ray diffraction and IR and Raman spectroscopy.

Alkuperäiskieli	Englanti
Sivut	12651-12663
Sivumäärä	13
Julkaisu	Inorganic Chemistry
Vuosikerta	60
Numero	17
Varhainen verkossa julkaisun päivämäärä	25 elok. 2021
DOI - pysyväislinkit	https://doi.org/10.1021/acs.inorgchem.1c01833
Tila	Julkaistu - 6 syysk. 2021
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Pääsy asiakirjaan

10.1021/acs.inorgchem.1c01833

CHEM_Bandemehr_et_al_Syntheses_and_Characterization_2021_Inorganic_ChemistryAccepted author manuscript, 1,62 MBLisenssi: Määrittelemätön

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Linkki julkaisuun Scopuksessa

CSD 2089884: Experimental Crystal Structure Determination
Bandemehr, J. (Creator), Zimmerhofer, F. (Creator), Ivlev, S. I. (Creator), Pietzonka, C. (Creator), Eklund, K. (Creator), Karttunen, A. (Creator), Huppertz, H. (Creator), Kraus, F. (Creator) & Heymann, G. (Tietojen hallinnoija), Cambridge Crystallographic Data Centre , 14 kesäk. 2021
DOI - pysyväislinkki: 10.25505/fiz.icsd.cc284pmr
Tietoaineisto: Dataset
CSD 2089883: Experimental Crystal Structure Determination
Bandemehr, J. (Creator), Zimmerhofer, F. (Creator), Ivlev, S. I. (Creator), Pietzonka, C. (Creator), Eklund, K. (Creator), Karttunen, A. (Creator), Huppertz, H. (Creator), Kraus, F. (Creator) & Heymann, G. (Tietojen hallinnoija), Cambridge Crystallographic Data Centre , 14 kesäk. 2021
DOI - pysyväislinkki: 10.25505/fiz.icsd.cc284plq
Tietoaineisto: Dataset

Siteeraa tätä

@article{92d5a112b6a7450a9dd234526858ea1f,

title = "Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn2F5and Mn3F8",

abstract = "We obtained single crystals of the binary mixed-valent fluorides Mn2F5 and Mn3F8 using a high-pressure/high-temperature approach. Mn2F5 crystallizes isotypic to CaCrF5 in the monoclinic space group C2/c (No. 15), with a = 8.7078(8) {\AA}, b = 6.1473(6) {\AA}, c = 7.7817(7) {\AA}, β = 117.41(1)°, V = 369.80(6) {\AA}3, Z = 4, and mC28 at T = 173 K. Mn3F8 crystallizes in the monoclinic space group P21 (No. 4) with a = 5.5253(2) {\AA}, b = 4.8786(2) {\AA}, c = 9.9124(4) {\AA}, β = 92.608(2)°, V = 266.92(2) {\AA}3, Z = 2, and mP22 at T = 183 K and presents a new structure type. Crystal-chemical reasoning, CHARDI calculations, and quantum-chemical calculations allowed for the assignment of the oxidation states of the Mn atoms. In both bulk compounds, MnF2 was present as an impurity, as evidenced by powder X-ray diffraction and IR and Raman spectroscopy. ",

author = "Jascha Bandemehr and Fabian Zimmerhofer and Ivlev, {Sergei I.} and Clemens Pietzonka and Kim Eklund and Karttunen, {Antti J.} and Hubert Huppertz and Florian Kraus",

note = "Publisher Copyright: {\textcopyright} 2021 American Chemical Society.",

year = "2021",

month = sep,

day = "6",

doi = "10.1021/acs.inorgchem.1c01833",

language = "English",

volume = "60",

pages = "12651--12663",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "17",

}

TY - JOUR

T1 - Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn2F5and Mn3F8

AU - Bandemehr, Jascha

AU - Zimmerhofer, Fabian

AU - Ivlev, Sergei I.

AU - Pietzonka, Clemens

AU - Eklund, Kim

AU - Karttunen, Antti J.

AU - Huppertz, Hubert

AU - Kraus, Florian

PY - 2021/9/6

Y1 - 2021/9/6

N2 - We obtained single crystals of the binary mixed-valent fluorides Mn2F5 and Mn3F8 using a high-pressure/high-temperature approach. Mn2F5 crystallizes isotypic to CaCrF5 in the monoclinic space group C2/c (No. 15), with a = 8.7078(8) Å, b = 6.1473(6) Å, c = 7.7817(7) Å, β = 117.41(1)°, V = 369.80(6) Å3, Z = 4, and mC28 at T = 173 K. Mn3F8 crystallizes in the monoclinic space group P21 (No. 4) with a = 5.5253(2) Å, b = 4.8786(2) Å, c = 9.9124(4) Å, β = 92.608(2)°, V = 266.92(2) Å3, Z = 2, and mP22 at T = 183 K and presents a new structure type. Crystal-chemical reasoning, CHARDI calculations, and quantum-chemical calculations allowed for the assignment of the oxidation states of the Mn atoms. In both bulk compounds, MnF2 was present as an impurity, as evidenced by powder X-ray diffraction and IR and Raman spectroscopy.

AB - We obtained single crystals of the binary mixed-valent fluorides Mn2F5 and Mn3F8 using a high-pressure/high-temperature approach. Mn2F5 crystallizes isotypic to CaCrF5 in the monoclinic space group C2/c (No. 15), with a = 8.7078(8) Å, b = 6.1473(6) Å, c = 7.7817(7) Å, β = 117.41(1)°, V = 369.80(6) Å3, Z = 4, and mC28 at T = 173 K. Mn3F8 crystallizes in the monoclinic space group P21 (No. 4) with a = 5.5253(2) Å, b = 4.8786(2) Å, c = 9.9124(4) Å, β = 92.608(2)°, V = 266.92(2) Å3, Z = 2, and mP22 at T = 183 K and presents a new structure type. Crystal-chemical reasoning, CHARDI calculations, and quantum-chemical calculations allowed for the assignment of the oxidation states of the Mn atoms. In both bulk compounds, MnF2 was present as an impurity, as evidenced by powder X-ray diffraction and IR and Raman spectroscopy.

UR - http://www.scopus.com/inward/record.url?scp=85114641414&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.1c01833

DO - 10.1021/acs.inorgchem.1c01833

M3 - Article

AN - SCOPUS:85114641414

SN - 0020-1669

VL - 60

SP - 12651

EP - 12663

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 17

ER -

Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn2F5and Mn3F8

Abstrakti

Pääsy asiakirjaan

Muut tiedostot ja linkit

Sormenjälki

Tietoaineistot

CSD 2089884: Experimental Crystal Structure Determination

CSD 2089883: Experimental Crystal Structure Determination

Siteeraa tätä

Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn₂F₅and Mn₃F₈