163034 20251009133840.0 doi 10.1016/j.molstruc.2025.142198 sideral 143772 ART-2025-143772 eng Smolko, Richard Pentacoordinate Ni(II) complex: Synthesis, crystal structure and magnetism 2025 Access copy available to the general public Unrestricted Ni(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. info:eu-repo/semantics/embargoedAccess by-nc-nd https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Falvello, Larry R. Universidad de Zaragoza (orcid)0000-0002-0444-996X Ara, Irene Universidad de Zaragoza (orcid)0000-0002-5881-9698 Titiš, Ján Boca, Roman Cernák, Juraj 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 1337 (2025), 142198 J. mol. struct. JOURNAL OF MOLECULAR STRUCTURE 0022-2860 2064384 http://zaguan.unizar.es/record/163034/files/texto_completo.pdf Postprint info:eu-repo/date/embargoEnd/2027-08-15 1430292 http://zaguan.unizar.es/record/163034/files/texto_completo.jpg?subformat=icon icon Postprint info:eu-repo/date/embargoEnd/2027-08-15 oai:zaguan.unizar.es:163034 articulos driver 2025-10-09-13:25:51 ARTICLE