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
عنوان مجله INORGANICA CHIMICA ACTA
نوع پژوهش مقاله چاپ شده
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 مرجانعابدی (نفر اول)، اکانظفر (نفر دوم)، قدرتمحمودی (نفر سوم)، آنتونیوبوازو (نفر چهارم)، ساملوفلند (نفر پنجم)، یوسفیرلی (نفر ششم به بعد)، ورنرکامینسکی (نفر ششم به بعد)، پیوترگارزارک (نفر ششم به بعد)، جانزاربا (نفر ششم به بعد)، آندرهاینکو (نفر ششم به بعد)، آنتونیوفرانترو (نفر ششم به بعد)، معصومهثروتی گرگری (نفر ششم به بعد)