期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 58, 期 47, 页码 16903-16906出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201911003
关键词
DFT calculations; Fe-III cages; magnetic behaviour; molecular metal oxides; spin frustration
资金
- EPSRC [EP/N01331X/1, EP/P025986/1]
- UGC-UKIERI grant [184-1/2018(lC)]
- SERB [CRG/2018/000430]
- UGC
- MICINN [RTI2018-094909-J-I00]
- Deutsche Forschungsgemeinschaft DFG [314331397 (SCHN 615/23-1)]
- EPSRC [EP/N01331X/1] Funding Source: UKRI
The dissolution of anhydrous iron bromide in a mixture of pyridine and acetonitrile, in the presence of an organic amine, results in the formation of an [Fe-34] metal oxide molecule, structurally characterised by alternate layers of tetrahedral and octahedral Fe-III ions connected by oxide and hydroxide ions. The outer shell of the complex is capped by a combination of pyridine molecules and bromide ions. Magnetic data, measured at temperatures as low as 0.4K and fields up to 35T, reveal competing antiferromagnetic exchange interactions; DFT calculations showing that the magnitudes of the coupling constants are highly dependent on both the Fe-O-Fe angles and Fe-O distances. The simplicity of the synthetic methodology, and the structural similarity between [Fe-34], bulk iron oxides, previous Fe-III-oxo cages, and polyoxometalates (POMs), hints that much larger molecular Fe-III oxides can be made.
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