RT Journal Article
T1 One‐Dimensional [Ni(O2CR)2(NN)x] Polymers: Structural, Magnetic, and Density Functional Theory Studies
A1 Cortijo Montes, Miguel
A1 Herrero Domínguez, Santiago
A1 Jerez, Belén
A1 Jiménez Aparicio, Reyes
A1 Perles Hernáez, Josefina
A1 Priego Bermejo, José Luis
A1 Tortajada Pérez, José
AB 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.
PB Wiley
SN 2192-6506
YR 2014
FD 2014
LK https://hdl.handle.net/20.500.14352/93084
UL https://hdl.handle.net/20.500.14352/93084
LA eng
NO 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
NO Ministerio de Economía y Competitividad (España)
NO Comunidad de Madrid
DS Docta Complutense
RD 30 jun 2025