مشخصات پژوهش

عنوان	Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(II) complexes
نوع پژوهش	مقاله چاپ‌شده در مجلات علمی
کلیدواژه‌ها	carbohydrazone , DFT calculations and Hirshfeld, X-ray characterization
چکیده	In this manuscript we report the synthesis and X-ray characterization of five complexes of Zn(II) based on a N4O core carbohydrazone ligand (H2L); i.e. {[Zn4(HL)4](CH3OH)4(NO3)4} (1), {[Zn4(HL)4](ClO4)4} (2) {[Zn4(HL)4][Zn(SCN)4](NO3)2} (3) {[Zn(SCN)4](H4L)(CH3OH)2} (4) and {[Zn4(HL)4](NO3)4(H2O)} (5). Structurally characterized tetranuclear Zn(II) complexes, as those reported herein, are scarcely found in the literature. In the crystal structures of several compounds, N–H⋯S hydrogen bonds, anion–π and π–hole interactions are described and analysed by means of density functional theory (DFT) calculations since they play an important role in the construction of three-dimensional supramolecular frameworks. Moreover, the noncovalent interactions have been also analysed using Hirshfeld surface analysis.
پژوهشگران	قدرت محمودی (نفر اول)، آنتونیو بوازو (نفر دوم)، آنتونیو رودریگز (نفر سوم)، پیوتر گارزارک (نفر چهارم)، ورنر کامینسکی (نفر پنجم)، آنتونیو فرانترو (نفر ششم به بعد)