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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).

Abstract:

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 α-PF(6). DFT reveals that the HF(2)(-) bridges are significantly better mediators of magnetic exchange than pyz (J(pyz)), where J(FHF) ≈ 3J(pyz), thus leading to quasi-1D behavior. Spin density re...

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Publication status:
Published

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Publisher copy:
10.1039/c2dt30113j

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Physics
Role:
Author
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Journal:
Dalton transactions (Cambridge, England : 2003)
Volume:
41
Issue:
24
Pages:
7235-7243
Publication date:
2012-06-05
DOI:
EISSN:
1477-9234
ISSN:
1477-9226
URN:
uuid:a4e46b16-696e-44ed-9ac6-1095e5c2f11f
Source identifiers:
328981
Local pid:
pubs:328981
Language:
English

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