28 اردیبهشت 1403
قدرت محمودي

قدرت محمودی

مرتبه علمی: دانشیار
نشانی: آذربایجان شرقی، مراغه، میدان مادر، بلوار دانشگاه، دانشگاه مراغه - دانشکده علوم پایه - گروه شیمی معدنی
تحصیلات: دکترای تخصصی / شیمی معدنی
تلفن:
دانشکده: دانشکده علوم پایه

مشخصات پژوهش

عنوان
Tetranuclear Manganese(II) Complexes of Hydrazone and Carbohydrazone Ligands: Synthesis, Crystal Structures, Magnetic Properties, Hirshfeld Surface Analysis and DFT Calculations
نوع پژوهش مقاله چاپ شده
کلیدواژه‌ها
Hirshfeld Surface Analysis , Carbohydrazone Ligands , Magnetic Properties
سال
2016
مجله INORGANICA CHIMICA ACTA
شناسه DOI
پژوهشگران مرجان عابدی ، اکان ظفر ، قدرت محمودی ، آنتونیو بوازو ، سام لوفلند ، یوسف یرلی ، ورنر کامینسکی ، پیوتر گارزارک ، جان زاربا ، آندره اینکو ، آنتونیو فرانترو ، معصومه ثروتی گرگری

چکیده

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.