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Issue 24, 2012
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Influence of HF2 geometry on magnetic interactions elucidated from polymorphs of the metal–organic framework [Ni(HF2)(pyz)2]PF6 (pyz = pyrazine)

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Abstract

A tetragonal polymorph of [Ni(HF2)(pyz)2]PF6 (designated β) is isomorphic to its SbF6-congener at 295 K and features linear Ni–FHF–Ni pillars. Enhancements in the spin exchange (JFHF = 7.7 K), Néel temperature (TN = 7 K), and critical field (Bc = 24 T) were found relative to monoclinic α-PF6. DFT reveals that the HF2 bridges are significantly better mediators of magnetic exchange than pyz (Jpyz), where JFHF ≈ 3Jpyz, thus leading to quasi-1D behavior. Spin density resides on all atoms of the HF2 bridge whereas N-donor atoms of the pyz ring bear most of the density.

Graphical abstract: Influence of HF2− geometry on magnetic interactions elucidated from polymorphs of the metal–organic framework [Ni(HF2)(pyz)2]PF6 (pyz = pyrazine)

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Publication details

The article was received on 16 Jan 2012, accepted on 03 Apr 2012 and first published on 05 Apr 2012


Article type: Paper
DOI: 10.1039/C2DT30113J
Citation: Dalton Trans., 2012,41, 7235-7243
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    Influence of HF2 geometry on magnetic interactions elucidated from polymorphs of the metal–organic framework [Ni(HF2)(pyz)2]PF6 (pyz = pyrazine)

    J. L. Manson, K. E. Carreiro, S. H. Lapidus, P. W. Stephens, P. A. Goddard, R. E. Del Sesto, J. Bendix, S. Ghannadzadeh, I. Franke, J. Singleton, T. Lancaster, J. S. Möller, P. J. Baker, F. L. Pratt, S. J. Blundell, J. Kang, C. Lee and M. Whangbo, Dalton Trans., 2012, 41, 7235
    DOI: 10.1039/C2DT30113J

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