2024-03-28T15:06:40Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/558922016-02-17T06:08:59Zcom_10261_31com_10261_3col_10261_284
DIGITAL.CSIC
author
Craig, G. A.
author
Barrios, L. A.
author
Sánchez Costa, J.
author
Roubeau, Olivier
author
Teat, Simon J.
author
Aromí, Guillem
2012-09-10T08:14:53Z
2012-09-10T08:14:53Z
2010
Dalton Transactions 39(20): 4874-4881 (2010)
1477-9226
http://hdl.handle.net/10261/55892
10.1039/B927032A
1477-9234
A new functionalized bis-pyrazol-pyridine ligand has been prepared by reaction with hydrazine of the corresponding bis-β-diketone precursor, also unprecedented. The aerobic reaction of this ligand with ferrous thiocyanate in the presence of ascorbic or oxalic acid affords the dinuclear complex of seven-coordinate Fe(III), [Fe2(H4L2)2(ox)(NCS)4] (1), as revealed by single crystal X-ray diffraction. This may represent an entry into a new family of [Fe2] compounds with heptacoordinate metal centres. The capacity of this unusual chromophore to undergo magnetic super-exchange was investigated by means of bulk magnetization and DFT calculations. Both approaches confirmed the presence of antiferromagnetic interactions within the molecule. The theoretical investigation has served to describe the magnetic orbitals of Fe(III) in this unusual coordination geometry, as well as the exchange mechanism. A brief review of the scarce number of iron heptacoordinate complexes reported in the literature is also included and discussed.
eng
closedAccess
Synthesis of a novel heptacoordinated Fe(III) dinuclear complex: experimental and theoretical study of the magnetic properties
artículo
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URL
https://digital.csic.es/bitstream/10261/55892/1/restringido.pdf
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https://digital.csic.es/bitstream/10261/55892/4/restringido.pdf.txt
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restringido.pdf.txt