Please use this identifier to cite or link to this item: https://doi.org/10.1021/ja3077654
Title: Origin of long-range ferromagnetic ordering in metal-organic frameworks with antiferromagnetic dimeric-Cu(II) building units
Authors: Shen, L. 
Yang, S.-W.
Xiang, S.
Liu, T.
Zhao, B.
Ng, M.-F.
Göettlicher, J.
Yi, J. 
Li, S.
Wang, L.
Ding, J.
Chen, B.
Wei, S.-H.
Feng, Y.P. 
Issue Date: 17-Oct-2012
Source: Shen, L., Yang, S.-W., Xiang, S., Liu, T., Zhao, B., Ng, M.-F., Göettlicher, J., Yi, J., Li, S., Wang, L., Ding, J., Chen, B., Wei, S.-H., Feng, Y.P. (2012-10-17). Origin of long-range ferromagnetic ordering in metal-organic frameworks with antiferromagnetic dimeric-Cu(II) building units. Journal of the American Chemical Society 134 (41) : 17286-17290. ScholarBank@NUS Repository. https://doi.org/10.1021/ja3077654
Abstract: Even though metal-organic frameworks (MOFs) derived from antiferromagnetic dimeric-Cu(II) building units and nonmagnetic molecular linkers are known to exhibit unexpected ferromagnetic behavior, a comprehensive understanding of the underlying mechanism remains elusive. Using a combined theoretical and experimental approach, here we reveal the origin of the long-range ferromagnetic coupling in a series of MOFs, constructed from antiferromagnetic dimeric-Cu(II) building blocks. Our studies show that the strong localization of copper vacancy states favors spontaneous spin polarization and formation of local moment. These copper vacancy-induced moments are coupled via the itinerant electrons in the conjugated aromatic linkers to establish a long-range ferromagnetic ordering. The proposed mechanism is supported by direct experimental evidence of copper vacancies and the magnetic hysteresis (M-H) loops. © 2012 American Chemical Society.
Source Title: Journal of the American Chemical Society
URI: http://scholarbank.nus.edu.sg/handle/10635/64966
ISSN: 00027863
DOI: 10.1021/ja3077654
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