000163115 001__ 163115
000163115 005__ 20251009145936.0
000163115 0247_ $$2doi$$a10.1016/j.ica.2021.120588
000163115 0248_ $$2sideral$$a125779
000163115 037__ $$aART-2021-125779
000163115 041__ $$aeng
000163115 100__ $$aKrešáková L.
000163115 245__ $$aHeteroleptic complexes of Ni(II) with 2, 2'-bipyridine and benzoato ligands. Magnetic properties of [Ni(bpy)(Bz)2]
000163115 260__ $$c2021
000163115 5060_ $$aAccess copy available to the general public$$fUnrestricted
000163115 5203_ $$aUnder 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.
000163115 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E17-20R$$9info:eu-repo/grantAgreement/ES/MCIU-FEDER/PGC2018-093451-B-I00
000163115 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
000163115 590__ $$a3.118$$b2021
000163115 591__ $$aCHEMISTRY, INORGANIC & NUCLEAR$$b19 / 46 = 0.413$$c2021$$dQ2$$eT2
000163115 592__ $$a0.42$$b2021
000163115 593__ $$aMaterials Chemistry$$c2021$$dQ2
000163115 593__ $$aInorganic Chemistry$$c2021$$dQ2
000163115 594__ $$a5.0$$b2021
000163115 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000163115 700__ $$aMino A.
000163115 700__ $$aHolub M.
000163115 700__ $$aKuchár J.
000163115 700__ $$aWerner A.
000163115 700__ $$aTomás M.
000163115 700__ $$aCižmár E.
000163115 700__ $$0(orcid)0000-0002-0444-996X$$aFalvello L.R.$$uUniversidad de Zaragoza
000163115 700__ $$aCernák J.
000163115 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000163115 773__ $$g527 (2021), 120588 [13 pp.]$$pInorg. Chim. Acta$$tINORGANICA CHIMICA ACTA$$x0020-1693
000163115 8564_ $$s2778684$$uhttps://zaguan.unizar.es/record/163115/files/texto_completo.pdf$$yPostprint
000163115 8564_ $$s857037$$uhttps://zaguan.unizar.es/record/163115/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000163115 909CO $$ooai:zaguan.unizar.es:163115$$particulos$$pdriver
000163115 951__ $$a2025-10-08-12:59:23
000163115 980__ $$aARTICLE