163115 20251009145936.0 doi 10.1016/j.ica.2021.120588 sideral 125779 ART-2021-125779 eng Krešáková L. Heteroleptic complexes of Ni(II) with 2, 2'-bipyridine and benzoato ligands. Magnetic properties of [Ni(bpy)(Bz)2] 2021 Under various experimental conditions seven complexes have been crystallized from the systems Ni(II) – HBz – bpy (HBz = benzoic acid, bpy = 2, 2'-bipyridine). The use of freshly prepared Ni(OH)2 as starting reagent leads to isolation of [Ni(bpy)(Bz)2] (1) and [Ni(bpy)3](Bz)2·5H2O (2). On the other hand, the use of nickel(II) nitrate as starting salt yielded 1 and also resulted in the formation of additional complexes in which the nitrate group entered into the final compositions, namely [Ni(bpy)2(Bz)](NO3)·2HBz (3), [Ni(bpy)2(Bz)](NO3)·1.25H2O (4), [Ni(bpy)2(H2O)(NO3)](NO3)·0.5HBz (5), [Ni(bpy)2(NO3)](NO3) (6) and [Ni(bpy)3](NO3)2·nH2O (n = 4.25) (7). The newly prepared complexes were characterized chemically and spectroscopically. The results of X-ray structure analyses of 1, 3–6 have shown that in all complexes, the Ni(II) atoms are hexacoordinated. Complex 1 exhibits a mononuclear molecular structure, while the ionic structures of 3–6 are built up of mononuclear complex cations with a heteroleptic coordination sphere around the Ni(II) atoms and by nitrate anions. In addition, the structures of 3–5 contain HBz solvate molecules or water molecules. The magnetic properties of 1 were studied in the temperature range 1.8–300 K showing that 1 is characterized by the presence of single-ion anisotropy of the easy-axis type with a value of D/kB = -6.32 K and a strong rhombic term with E/D = 0.327. Theoretical calculations using the ORCA package also confirm a significant influence of rhombic anisotropy. Access copy available to the general public Unrestricted info:eu-repo/grantAgreement/ES/DGA/E17-20R info:eu-repo/grantAgreement/ES/MCIU-FEDER/PGC2018-093451-B-I00 info:eu-repo/semantics/openAccess by-nc-nd https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es 3.118 2021 CHEMISTRY, INORGANIC & NUCLEAR 19 / 46 = 0.413 2021 Q2 T2 0.42 2021 Materials Chemistry 2021 Q2 Inorganic Chemistry 2021 Q2 5.0 2021 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Mino A. Holub M. Kuchár J. Werner A. Tomás M. Cižmár E. Falvello L.R. Universidad de Zaragoza (orcid)0000-0002-0444-996X Cernák J. 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 527 (2021), 120588 [13 pp.] Inorg. Chim. Acta INORGANICA CHIMICA ACTA 0020-1693 2778684 http://zaguan.unizar.es/record/163115/files/texto_completo.pdf Postprint 857037 http://zaguan.unizar.es/record/163115/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:163115 articulos driver 2025-10-08-12:59:23 ARTICLE