Cortijo Montes, MiguelHerrero Domínguez, SantiagoBelén JerezJiménez Aparicio, ReyesPerles Hernáez, JosefinaPriego Bermejo, José LuisTortajada Pérez, José2024-01-152024-01-152014-03-18Cortijo, 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.2014020052192-65062192-650610.1002/cplu.201402005https://hdl.handle.net/20.500.14352/93084Five 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.engAttribution-NonCommercial-NoDerivatives 4.0 Internationaljournal articleopen access546Química2303 Química Inorgánica