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Ghodrat Mahmoudi

Ghodrat Mahmoudi

Academic rank: Associate Professor
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Education: PhD.
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Research

Title
Tetranuclear Manganese(II) Complexes of Hydrazone and Carbohydrazone Ligands: Synthesis, Crystal Structures, Magnetic Properties, Hirshfeld Surface Analysis and DFT Calculations
Type
JournalPaper
Keywords
Hirshfeld Surface Analysis , Carbohydrazone Ligands , Magnetic Properties
Year
2016
Journal INORGANICA CHIMICA ACTA
DOI
Researchers Marjan Abedi ، Okan Zafer ، Ghodrat Mahmoudi ، Antonio Bauzá ، Samuel Lofland ، Yusuf Yerli ، Werner Kaminsky ، Piotr Garczarek ، Jan K. Zare˛ba ، Andrea Ienco ، Antonio Frontera ، Masoumeh Servati Gargari

Abstract

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.