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

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

Abstract

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]$\cdot$ 2CH₃COOH$\cdot$ 4H₂O (x = 1, 2, 3, and 4), denoted by Mn₁₁Fe₁, Mn₁₀Fe₂, Mn₉Fe₃, and Mn₈Fe₄, respectively.

Keywords: single-molecule magnets neutron diffraction x-ray absorption fine structure

Received: 26 June 2006
Revised: 08 August 2006
Accepted manuscript online:

PACS:	75.50.Xx	(Molecular magnets)
	61.05.fm	(Neutron diffraction)
	61.66.Fn	(Inorganic compounds)
	78.70.Dm	(X-ray absorption spectra)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos~10375088 and 10505029).

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Cao Hui-Bo(曹慧波), Chen Dong-Liang(陈栋梁), He Lun-Hua(何伦华), Zhang Jun-Rong(张俊荣), Wang Fang-Wei(王芳卫), Wu Zi-Yu(吴自玉), and Yan Qi-Wei(严启伟) Determination of the sites of Fe atoms in Fe-substituted Mn₁₂ 2007 Chinese Physics 16 784

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