Fluorescence Properties and Density Functional Theory Calculation of a Structurally Characterized Heterotetranuclear [Zn<sup>II</sup><sub>2</sub>–Sm<sup>III</sup><sub>2</sub>] 4,4′-Bipy-Salamo-Constructed Complex

oleh: Xiao-Xin An, Chang Liu, Zhuang-Zhuang Chen, Ke-Feng Xie, Yang Zhang

Format: Article
Diterbitkan: MDPI AG 2019-11-01

Deskripsi

A new heterotetranuclear complex, [{Zn(L)Sm(NO<sub>3</sub>)<sub>3</sub>}<sub>2</sub>(4,4&#8242;-bipy)]<b>&#183;</b>2CH<sub>3</sub>OH, was synthesized via an unsymmetrical single salamo-like ligand H<sub>2</sub>L: 6-methoxy-6&#8242;-ethoxy-2,2&#8242;-[ethylenedioxybis(azinomethyl)]diphenol, with Zn(OAc)<sub>2</sub><b>&#183;</b>2H<sub>2</sub>O, Sm(NO<sub>3</sub>)<sub>3</sub><b>&#183;</b>6H<sub>2</sub>O, and 4,4&#8242;-bipyridine by the one-pot method. The [Zn<sup>II</sup><sub>2</sub>&#8722;Sm<sup>III</sup><sub>2</sub>] complex was validated via elemental analysis, powder X-ray diffraction (PXRD) analysis, infrared spectroscopy, and ultraviolet&#8722;visible (UV&#8722;Vis) absorption spectroscopy. The X-ray single crystal diffraction analysis of the [Zn<sup>II</sup><sub>2</sub>&#8722;Sm<sup>III</sup><sub>2</sub>] complex was carried out via X-ray single-crystal crystallography. The crystal structure and supramolecular features were discussed. In addition, while studying the fluorescence properties of the [Zn<sup>II</sup><sub>2</sub>&#8722;Sm<sup>III</sup><sub>2</sub>] complex, the density functional theory (DFT) calculation of its structure was also performed.