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http://hdl.handle.net/2445/184290
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DC Field | Value | Language |
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dc.contributor.author | Sahadevan, Suchithra | - |
dc.contributor.author | Abhervé, Alexandre | - |
dc.contributor.author | Monni, Noemi | - |
dc.contributor.author | Sáenz de Pipaón, Cristina | - |
dc.contributor.author | Galan-Mascaros, José Ramón | - |
dc.contributor.author | Waerenborgh, João C. | - |
dc.contributor.author | Vieira, Bruno J. C. | - |
dc.contributor.author | Auban-Senzier, Pascale | - |
dc.contributor.author | Pillet, Sébastien | - |
dc.contributor.author | Bendeif, El-Eulmi | - |
dc.contributor.author | Alemany i Cahner, Pere | - |
dc.contributor.author | Canadell, Enric, 1950- | - |
dc.contributor.author | Mercuri, Maria Laura | - |
dc.contributor.author | Avarvari, Narcis | - |
dc.date.accessioned | 2022-03-22T18:10:42Z | - |
dc.date.available | 2022-03-22T18:10:42Z | - |
dc.date.issued | 2018-09-10 | - |
dc.identifier.issn | 0002-7863 | - |
dc.identifier.uri | http://hdl.handle.net/2445/184290 | - |
dc.description.abstract | The mixed-valence FeIIFeIII 2D coordination polymer formulated as [TAG][FeIIFeIII(ClCNAn)3]·(solvate) 1 (TAG = tris(amino)-guanidinium, ClCNAn2− = chlorocyanoanilate dianionic ligand) crystallized in the polar trigonal space group P3. In the solid-state structure, determined both at 150 and at 10 K, anionic 2D honeycomb layers [FeIIFeIII(ClCNAn)3]− establish in the ab plane, with an intralayer metal−metal distance of 7.860 Å, alternating with cationic layers of TAG. The similar Fe−O distances suggest electron delocalization and an average oxidation state of +2.5 for each Fe center. The cation imposes its C3 symmetry to the structure and engages in intermolecular N−H···Cl hydrogen bonding with the ligand. Magnetic susceptibility characterization indicates magnetic ordering below 4 K and the presence of a hysteresis loop at 2 K with a coercive field of 60 Oe. Mössbauer measurements are in agreement with the existence of Fe(+2.5) ions at RT and statistic charge localization at 10 K. The compound shows semiconducting behavior with the in-plane conductivity of 2 × 10−3 S/cm, 3 orders of magnitude higher than the perpendicular one. A small-polaron hopping model has been applied to a series of oxalate-type FeIIFeIII 2D coordination polymers, providing a clear explanation on the much higher conductivity of the anilate-based systems than the oxalate ones. | - |
dc.format.extent | 11 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | American Chemical Society | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1021/jacs.8b08032 | - |
dc.relation.ispartof | Journal of the American Chemical Society, 2018, vol. 140, num. 39, p. 12611-12621 | - |
dc.relation.uri | https://doi.org/10.1021/jacs.8b08032 | - |
dc.rights | (c) American Chemical Society , 2018 | - |
dc.source | Articles publicats en revistes (Ciència dels Materials i Química Física) | - |
dc.subject.classification | Conductivitat elèctrica | - |
dc.subject.classification | Anions | - |
dc.subject.classification | Lligands | - |
dc.subject.other | Electric conductivity | - |
dc.subject.other | Anions | - |
dc.subject.other | Ligands | - |
dc.title | Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 683642 | - |
dc.date.updated | 2022-03-22T18:10:42Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) Articles publicats en revistes (Ciència dels Materials i Química Física) |
Files in This Item:
File | Description | Size | Format | |
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683642.pdf | 2.22 MB | Adobe PDF | View/Open |
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