مشخصات پژوهش

صفحه نخست /Tetranuclear Manganese(II) ...
عنوان Tetranuclear Manganese(II) Complexes of Hydrazone and Carbohydrazone Ligands: Synthesis, Crystal Structures, Magnetic Properties, Hirshfeld Surface Analysis and DFT Calculations
نوع پژوهش مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها Hirshfeld Surface Analysis , Carbohydrazone Ligands , Magnetic Properties
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.
پژوهشگران مرجان عابدی (نفر اول)، اکان ظفر (نفر دوم)، قدرت محمودی (نفر سوم)، آنتونیو بوازو (نفر چهارم)، سام لوفلند (نفر پنجم)، یوسف یرلی (نفر ششم به بعد)، جان زاربا (نفر ششم به بعد)، آندره اینکو (نفر ششم به بعد)، معصومه ثروتی گرگری (نفر ششم به بعد)، آنتونیو فرانترو (نفر ششم به بعد)، پیوتر گارزارک (نفر ششم به بعد)، ورنر کامینسکی (نفر ششم به بعد)