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 conten...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, Mn10Fe2, MngFe3, and Mn8Fe4, respectively.展开更多
基金Project supported by the National Natural Science Foundation of China （Grant Nos 10375088 and 10505029）. Acknowledgment The authors thank Dr Denis Sheptyakov at PSI for much support of the neutron diffraction experiments.
文摘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, Mn10Fe2, MngFe3, and Mn8Fe4, respectively.
