One‐Dimensional [Ni(O<sub>2</sub>CR)<sub>2</sub>(NN)<sub><i>x</i></sub>] Polymers: Structural, Magnetic, and Density Functional Theory Studies
| dc.contributor.author | Cortijo Montes, Miguel | |
| dc.contributor.author | Herrero Domínguez, Santiago | |
| dc.contributor.author | Belén Jerez | |
| dc.contributor.author | Jiménez Aparicio, Reyes | |
| dc.contributor.author | Perles Hernáez, Josefina | |
| dc.contributor.author | Priego Bermejo, José Luis | |
| dc.contributor.author | Tortajada Pérez, José | |
| dc.date.accessioned | 2024-01-15T12:35:29Z | |
| dc.date.available | 2024-01-15T12:35:29Z | |
| dc.date.issued | 2014-03-18 | |
| dc.description.abstract | Five nickel complexes, [Ni2(3,4,5-tmb)4(4,4 ′-bpy)] (1), [Ni2(2-ntc)4(4,4 ′-bpy)] (2), [Ni(9-atc)2(4,4 ′-bpy)] (3), [Ni(3,4,5-tmb)2(t-bpee) ] (4), and [Ni2(2-ntc)4(t-bpee)2] (5) (3,4,5-tmb=3,4,5-trimethoxybenzoate; 2-ntc=2-naphthalenecarboxylate; 9-atc=9-anthracenecarboxylate; 4,4 ′-bpy=4,4 ′-bipyridine; t-bpee=trans-1,2-bis(4-pyridyl)ethylene), are prepared. They are characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, and single-crystal and powder X-ray diffraction. 1 and 2 form linear chains of paddlewheel units joined by 4,4 ′-bpy ligands; 3 and 4 display zigzag chains formed by cis-bis(chelate) Ni(O2CR)2 units joined by 4,4 ′-bpy and t-bpee, respectively; and the structure of 5 consists of double chains. The magnetic behavior of the compounds is also studied, and DFT calculations using the broken-symmetry approximation are performed to gain a better understanding of the strong antiferromagnetism found in 1. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. | |
| dc.description.department | Depto. de Química Inorgánica | |
| dc.description.faculty | Fac. de Ciencias Químicas | |
| dc.description.refereed | TRUE | |
| dc.description.status | pub | |
| dc.identifier.citation | Cortijo, M., Herrero, S., Jerez, B., Jiménez-Aparicio, R., Perles, J., Priego, J. L., Torroba, J., & Tortajada, J. (2014). One-dimensional [Ni(O2CR)2(N-N)x] polymers: Structural, magnetic, and density functional theory studies. ChemPlusChem, 79(7), 951-961. https://doi.org/10.1002/CPLU.201402005 | |
| dc.identifier.doi | 10.1002/cplu.201402005 | |
| dc.identifier.issn | 2192-6506 | |
| dc.identifier.issn | 2192-6506 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14352/93084 | |
| dc.issue.number | 7 | |
| dc.journal.title | ChemPlusChem | |
| dc.language.iso | eng | |
| dc.page.final | 961 | |
| dc.page.initial | 951 | |
| dc.publisher | Wiley | |
| dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 International | en |
| dc.rights.accessRights | open access | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.subject.cdu | 546 | |
| dc.subject.ucm | Química | |
| dc.subject.unesco | 2303 Química Inorgánica | |
| dc.title | One‐Dimensional [Ni(O<sub>2</sub>CR)<sub>2</sub>(NN)<sub><i>x</i></sub>] Polymers: Structural, Magnetic, and Density Functional Theory Studies | |
| dc.type | journal article | |
| dc.volume.number | 79 | |
| dspace.entity.type | Publication | |
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| relation.isAuthorOfPublication.latestForDiscovery | 132acb8c-4bb3-439a-abd2-60dcda6f71f4 |
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