Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations

Marjan Abedi, Okan Zafer Yeşilel, Ghodrat Mahmoudi, Antonio Bauzá, Samuel E. Lofland, Yusuf Yerli, Werner Kaminsky, Piotr Garczarek, Jan K. Zaręba, Andrea Ienco, Antonio Frontera, Masoumeh Servati Gargari

    Research output: Contribution to journalArticlepeer-review

    21 Scopus citations

    Abstract

    The complexes [Mn4(L1)4(N3)4] (1), [Mn4(L2)4(μ-N3)2(N3)2(OCH3)2] (2) and [Mn4(μ-L3)4(NCS)4]·6CH3OH (3) [L1 = N-1-(pyridin-2-yl)ethylidenepicolinohydrazonate, L2 = N-phenyl(pyridin-2-yl)methylenepicolino hydrazonate, and L3 = ((phenyl(pyridin-2-yl)methylene)hydrazinyl)((Z)-2-(phenyl(pyridin-2-yl)methylene)hydrazinyl)methanolate] have been synthesized, and their structures characterized. The structures of 1 and 3 can be described as tetranuclear and are formed from four Mn(II) ions bridged by four ligands. Complex 2 exhibits a centrosymmetric tetranuclear structure with two types of Mn(II) centers with double end-on (EO) azido bridges. All the complexes have similar magnetic behavior and exhibit weak intramolecular antiferromagnetic coupling, which is consistent with the oxygen-bridged square structures with large Mn-O-Mn bridge angles. Theoretically obtained J values of -1.7 cm-1 (for 1), -0.7 cm-1 (for 2) and -3.3 cm-1 (for 3) corroborate well the experimental results. Moreover, a Hirshfeld surface (HS) analysis was employed to gain additional insight into interactions responsible for packing of complexes 1-3 (with dnorm and shape-index functions). Quantitative examination of 2D fingerprint plots revealed, amongst others, the dominating participation of H...H and H...C interactions in the molecular packing.

    Original languageEnglish (US)
    Pages (from-to)101-109
    Number of pages9
    JournalInorganica Chimica Acta
    Volume443
    DOIs
    StatePublished - Mar 24 2016

    All Science Journal Classification (ASJC) codes

    • Physical and Theoretical Chemistry
    • Inorganic Chemistry
    • Materials Chemistry

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