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Coordination of a (Npy)2NimineNamine-Donor Oxazolidine Ligand Toward CdX2 (X = Cl, Br, I) with 1:1 and 2:1 M:L Molar Ratios Along with Spectral, Theoretical, and Structural Studies
Journal of Structural Chemistry ( IF 1.2 ) Pub Date : 2020-06-01 , DOI: 10.1134/s0022476620060037
Z. Mardani

A series of reactions between an oxazolidine ligand 2-(2-(pyridin-2-yl)oxazolidin-3-yl)-N-(pyridin-2-ylmethylene)ethanamine (POPME) and CdX2 (X = Cl, Br, I) salts with different M:L molar ratios (1:1 and 2:1) is experimentally studied to determine the most stable product of these reactions. All products are characterized by the elemental analysis, FTIR, Raman, and 1H NMR spectroscopy, and single crystal X-ray diffraction. Examinations reveal that only one product is formed from 1:1 and 2:1 M:L reactions between each cadmium(II) halide with POPME. The thermodynamic stability and charge distribution patterns of the compound containing bromide are analyzed by DFT and NBO.

中文翻译:

(Npy)2NimineNamine-供体恶唑烷配体与 CdX2 (X = Cl, Br, I) 的配合,摩尔比为 1:1 和 2:1 M:L 以及光谱、理论和结构研究

恶唑烷配体 2-(2-(pyridin-2-yl)oxazolidin-3-yl)-N-(pyridin-2-ylmethylene)ethanamine (POPME) 和 CdX2 (X = Cl, Br, I) 之间的一系列反应) 具有不同 M:L 摩尔比(1:1 和 2:1)的盐进行实验研究,以确定这些反应中最稳定的产物。所有产品均通过元素分析、FTIR、拉曼和 1H NMR 光谱以及单晶 X 射线衍射进行表征。检验表明,每种卤化镉 (II) 与 POPME 之间的 1:1 和 2:1 M:L 反应仅形成一种产物。通过DFT和NBO分析了含溴化合物的热力学稳定性和电荷分布模式。
更新日期:2020-06-01
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