000163034 001__ 163034 000163034 005__ 20251009133840.0 000163034 0247_ $$2doi$$a10.1016/j.molstruc.2025.142198 000163034 0248_ $$2sideral$$a143772 000163034 037__ $$aART-2025-143772 000163034 041__ $$aeng 000163034 100__ $$aSmolko, Richard 000163034 245__ $$aPentacoordinate Ni(II) complex: Synthesis, crystal structure and magnetism 000163034 260__ $$c2025 000163034 5060_ $$aAccess copy available to the general public$$fUnrestricted 000163034 5203_ $$aNi(II) complex [Ni(na-dmdpa)] (H2(na-dmdpa) = 1,1′-((1E,1′E)-(((methylazanediyl)bis(propane-3,1iyl))bis(azaneylylidene))bis(methaneylylidene))bis (naphthalen-2-ol) has been synthesized using Schiff-base type pentadentate ligand formed by condensation of 2-hydroxynaphthaldehyde with 3,3ˈ-diamino-N-methyldipropylamine. The crystal structure is built up of complex molecules [Ni(na-dmdpa)]. The Ni(II) centre exhibits pentacoordination and its coordination sphere is formed by deprotonated Schiff base acting as doubly chelating pentadentate dianionic ligand. Calculated τ value for complex [Ni(na-dmdpa)] indicates that the coordination polyhedron is an intermediate between trigonal bipyramid and square pyramid. Complex is stable at RT. From the magnetic study follows that the axial zero-field splitting parameter is significantly negative (D/hc = –51 cm-1) and the value of rhombicity is moderate (E/hc = 2.4 cm-1). Theoretical calculations support the magnetic experimental result. The out-of-phase component of the AC susceptibility is silent. 000163034 540__ $$9info:eu-repo/semantics/embargoedAccess$$aby-nc-nd$$uhttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es 000163034 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion 000163034 700__ $$0(orcid)0000-0002-0444-996X$$aFalvello, Larry R.$$uUniversidad de Zaragoza 000163034 700__ $$0(orcid)0000-0002-5881-9698$$aAra, Irene$$uUniversidad de Zaragoza 000163034 700__ $$aTitiš, Ján 000163034 700__ $$aBoca, Roman 000163034 700__ $$aCernák, Juraj 000163034 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica 000163034 773__ $$g1337 (2025), 142198$$pJ. mol. struct.$$tJOURNAL OF MOLECULAR STRUCTURE$$x0022-2860 000163034 8564_ $$s2064384$$uhttps://zaguan.unizar.es/record/163034/files/texto_completo.pdf$$yPostprint$$zinfo:eu-repo/date/embargoEnd/2027-08-15 000163034 8564_ $$s1430292$$uhttps://zaguan.unizar.es/record/163034/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint$$zinfo:eu-repo/date/embargoEnd/2027-08-15 000163034 909CO $$ooai:zaguan.unizar.es:163034$$particulos$$pdriver 000163034 951__ $$a2025-10-09-13:25:51 000163034 980__ $$aARTICLE