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A new mononuclear nickel complex with 5,5′-dimethyl-2,2′-bipyridine: Synthesis, structural investigation and catalytic properties
Journal of Molecular Structure ( IF 3.8 ) Pub Date : 2020-11-01 , DOI: 10.1016/j.molstruc.2020.128572
Rim Jaballi , Dhieb Atoui , Wassim Maalej , Artem Babaryk , Patricia Horcajada , Ridha Ben Salem , Zakaria Elaoud

Abstract The new [Ni(dmbpy)(H2O)4]SeO4 complex (dmbpy = 5,5′-dimethyl-2,2′-bipyridine or C12H12N2), based on mononuclear nickel(II) and bi-atomic bridging ligands has been successfully synthesized by hydrothermal method. The crystals are characterized by X-ray single-crystal diffraction, crystallizing in the monoclinic system, space group P21/c. Their crystal structure consists of metallic cations octahedrally coordinated by four water molecules and two nitrogen atoms coming from the organic molecule [NiN2O4], and a selenate anion (SeO4)2-. Their crystal packing is ensured by a three-dimensional network of O-H…O hydrogen bonds between the cation and anion moieties, and π … π interactions between the pyridine rings of the organic moieties of the same layer. The thermal analysis discloses dehydration between 148 °C and 210 °C, leading to an anhydrous compound [Ni(dmbpy]SeO4. The study of vibrational absorption and Raman scattering spectra allows bringing additional information to those obtained by X-ray diffraction. The optical band gap was calculated from the UV–Vis absorbance spectra using classical Tauc relation which was found to be 3.58 eV. The catalytic evaluation of [Ni(dmbpy)(H2O)4]SeO4 on Heck and Sonogashira coupling reactions, activated by ultrasonic irradiation, results in encouraging yields for a very short times with a remarkable selectivity of the form (E) with respect to (Z) during the arylation of styrene, making this complex a promising catalyst for both types of reactions. The coupling products of the Heck and Sonogashira coupling reaction ((Z)-/(E)- Stilbene and Diphenylacetylene, respectively) were examined by 13C NMR and 1H NMR. These spectroscopic measurements provide extremely valuable information on the structure of the molecules obtained.

中文翻译:

一种具有 5,5'-二甲基-2,2'-联吡啶的新型单核镍配合物:合成、结构研究和催化性能

摘要 基于单核镍 (II) 和双原子桥连配体的新型 [Ni(dmbpy)(H2O)4]SeO4 配合物(dmbpy = 5,5'-二甲基-2,2'-联吡啶或 C12H12N2)水热法合成成功。该晶体通过X射线单晶衍射表征,在单斜晶系中结晶,空间群为P21/c。它们的晶体结构由四个水分子和两个来自有机分子 [NiN2O4] 的氮原子八面体配位的金属阳离子和一个硒酸盐阴离子 (SeO4)2- 组成。它们的晶体堆积由阳离子和阴离子部分之间的 OH…O 氢键的三维网络以及同一层有机部分的吡啶环之间的 π … π 相互作用来确保。热分析表明在 148 °C 和 210 °C 之间脱水,
更新日期:2020-11-01
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