Determination of the sites of Fe atoms in Fe-substituted Mn12

Hui Bo Cao; Dong Liang Chen; Lun Hua He; Jun Rong Zhang; Fang Wei Wang; Zi Yu Wu; Qi Wei Yan

doi:10.1088/1009-1963/16/3/037

Determination of the sites of Fe atoms in Fe-substituted Mn₁₂

Hui Bo Cao, Dong Liang Chen, Lun Hua He, Jun Rong Zhang, Fang Wei Wang, Zi Yu Wu, Qi Wei Yan

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

In this paper neutron diffraction experiments were performed for Fe-substituted Mn₁₂ in order to determine the sites of Fe atoms. The results of structure refinements for the sample with our accessed highest Fe content showed that all Fe atoms occupied Mn(3) sites in the Mn₁₂ skeleton. The x-ray absorption fine structure experiments as well as multiple scattering simulations gave the same result. Thus we concluded that Fe atoms only occupied Mn(3) sites. This conclusion also means that Fe-substituted Mn₁₂ series only includes the four single-molecule magnets of [Mn_12-xFe_xO₁₂(CH₃COO) ₁₆(H₂O)₄].2CH₃COOH.4H₂O (x ≤ 1,2,3, and 4), denoted by Mn₁₁Fe₁, Mn ₁₀Fe₂, Mn₉Fe₃, and Mn ₈Fe₄, respectively.

Original language	English
Article number	037
Pages (from-to)	784-787
Number of pages	4
Journal	Chinese Physics
Volume	16
Issue number	3
DOIs	https://doi.org/10.1088/1009-1963/16/3/037
State	Published - Mar 1 2007
Externally published	Yes

Keywords

Neutron diffraction
Single-molecule magnets
X-ray absorption fine structure

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10.1088/1009-1963/16/3/037

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title = "Determination of the sites of Fe atoms in Fe-substituted Mn12",

abstract = "In this paper neutron diffraction experiments were performed for Fe-substituted Mn12 in order to determine the sites of Fe atoms. The results of structure refinements for the sample with our accessed highest Fe content showed that all Fe atoms occupied Mn(3) sites in the Mn12 skeleton. The x-ray absorption fine structure experiments as well as multiple scattering simulations gave the same result. Thus we concluded that Fe atoms only occupied Mn(3) sites. This conclusion also means that Fe-substituted Mn12 series only includes the four single-molecule magnets of [Mn12-xFexO12(CH3COO) 16(H2O)4].2CH3COOH.4H2O (x ≤ 1,2,3, and 4), denoted by Mn11Fe1, Mn 10Fe2, Mn9Fe3, and Mn 8Fe4, respectively.",

keywords = "Neutron diffraction, Single-molecule magnets, X-ray absorption fine structure",

author = "Cao, {Hui Bo} and Chen, {Dong Liang} and He, {Lun Hua} and Zhang, {Jun Rong} and Wang, {Fang Wei} and Wu, {Zi Yu} and Yan, {Qi Wei}",

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doi = "10.1088/1009-1963/16/3/037",

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T1 - Determination of the sites of Fe atoms in Fe-substituted Mn12

AU - Cao, Hui Bo

AU - Chen, Dong Liang

AU - He, Lun Hua

AU - Zhang, Jun Rong

AU - Wang, Fang Wei

AU - Wu, Zi Yu

AU - Yan, Qi Wei

PY - 2007/3/1

Y1 - 2007/3/1

N2 - In this paper neutron diffraction experiments were performed for Fe-substituted Mn12 in order to determine the sites of Fe atoms. The results of structure refinements for the sample with our accessed highest Fe content showed that all Fe atoms occupied Mn(3) sites in the Mn12 skeleton. The x-ray absorption fine structure experiments as well as multiple scattering simulations gave the same result. Thus we concluded that Fe atoms only occupied Mn(3) sites. This conclusion also means that Fe-substituted Mn12 series only includes the four single-molecule magnets of [Mn12-xFexO12(CH3COO) 16(H2O)4].2CH3COOH.4H2O (x ≤ 1,2,3, and 4), denoted by Mn11Fe1, Mn 10Fe2, Mn9Fe3, and Mn 8Fe4, respectively.

AB - In this paper neutron diffraction experiments were performed for Fe-substituted Mn12 in order to determine the sites of Fe atoms. The results of structure refinements for the sample with our accessed highest Fe content showed that all Fe atoms occupied Mn(3) sites in the Mn12 skeleton. The x-ray absorption fine structure experiments as well as multiple scattering simulations gave the same result. Thus we concluded that Fe atoms only occupied Mn(3) sites. This conclusion also means that Fe-substituted Mn12 series only includes the four single-molecule magnets of [Mn12-xFexO12(CH3COO) 16(H2O)4].2CH3COOH.4H2O (x ≤ 1,2,3, and 4), denoted by Mn11Fe1, Mn 10Fe2, Mn9Fe3, and Mn 8Fe4, respectively.

KW - Neutron diffraction

KW - Single-molecule magnets

KW - X-ray absorption fine structure

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EP - 787

JO - Chinese Physics

JF - Chinese Physics

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ER -

Determination of the sites of Fe atoms in Fe-substituted Mn₁₂

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Keywords

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