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	آنتونیو فرانترو (نفر ششم به بعد)، ورنر کامینسکی (نفر پنجم)، پیوتر گارزارک (نفر چهارم)، آنتونیو رودریگز (نفر سوم)، آنتونیو بوازو (نفر دوم)، قدرت محمودی (نفر اول)