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<dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:invenio="http://invenio-software.org/elements/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"><dc:identifier>doi:10.1016/j.molstruc.2025.142198</dc:identifier><dc:language>eng</dc:language><dc:creator>Smolko, Richard</dc:creator><dc:creator>Falvello, Larry R.</dc:creator><dc:creator>Ara, Irene</dc:creator><dc:creator>Titiš, Ján</dc:creator><dc:creator>Boca, Roman</dc:creator><dc:creator>Cernák, Juraj</dc:creator><dc:title>Pentacoordinate Ni(II) complex: Synthesis, crystal structure and magnetism</dc:title><dc:identifier>ART-2025-143772</dc:identifier><dc:description>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.</dc:description><dc:date>2025</dc:date><dc:source>http://zaguan.unizar.es/record/163034</dc:source><dc:doi>10.1016/j.molstruc.2025.142198</dc:doi><dc:identifier>http://zaguan.unizar.es/record/163034</dc:identifier><dc:identifier>oai:zaguan.unizar.es:163034</dc:identifier><dc:identifier.citation>JOURNAL OF MOLECULAR STRUCTURE 1337 (2025), 142198</dc:identifier.citation><dc:rights>by-nc-nd</dc:rights><dc:rights>https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es</dc:rights><dc:rights>info:eu-repo/semantics/embargoedAccess</dc:rights></dc:dc>

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