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Title
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Tetranuclear Manganese(II) Complexes of Hydrazone and Carbohydrazone Ligands: Synthesis, Crystal Structures, Magnetic Properties, Hirshfeld Surface Analysis and DFT Calculations
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Type
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JournalPaper
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Keywords
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Hirshfeld Surface Analysis , Carbohydrazone Ligands , Magnetic Properties
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Abstract
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The complexes [Mn4(L1)4(N3)4] (1), [Mn4(L2)4(l-N3)2(N3)2(OCH3)2] (2) and [Mn4(l-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 cm1 (for 1), 0.7 cm1 (for 2) and 3.3 cm1 (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.
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Researchers
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Masoumeh Servati Gargari (Not In First Six Researchers), Antonio Frontera (Not In First Six Researchers), Andrea Ienco (Not In First Six Researchers), Jan K. Zare˛ba (Not In First Six Researchers), Piotr Garczarek (Not In First Six Researchers), Werner Kaminsky (Not In First Six Researchers), Yusuf Yerli (Not In First Six Researchers), Samuel Lofland (Fifth Researcher), Antonio Bauzá (Fourth Researcher), Ghodrat Mahmoudi (Third Researcher), Okan Zafer (Second Researcher), Marjan Abedi (First Researcher)
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