Influence of HF2− geometry on magnetic interactions elucidated from polymorphs of the metal-organic framework [Ni(HF2)(pyz)2]PF6 (pyz = pyrazine)Electronic supplementary information (ESI) available: Absorption spectrum, X-ray diffraction patterns, spin density plots of BS-states, and CIF for β-PF6. CCDC reference number 863843. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2dt30113j

A tetragonal polymorph of [Ni(HF 2 )(pyz) 2 ]PF 6 (designated β) is isomorphic to its SbF 6 -congener at 295 K and features linear Ni-FHF-Ni pillars. Enhancements in the spin exchange ( J FHF = 7.7 K), Néel temperature ( T N = 7 K), and critical field ( B c = 24 T) were found relative to monoclinic...

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Hauptverfasser: Manson, Jamie L, Carreiro, Kimberly E, Lapidus, Saul H, Stephens, Peter W, Goddard, Paul A, Del Sesto, Rico E, Bendix, Jesper, Ghannadzadeh, Saman, Franke, Isabel, Singleton, John, Lancaster, Tom, Möller, Johannes S, Baker, Peter J, Pratt, Francis L, Blundell, Stephen J, Kang, Jinhee, Lee, Changhoon, Whangbo, Myung-Hwan
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Sprache:eng
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