A. A. Shchukina, A. D. Zubenko, V. A. Karnoukhova, Yu. V. Fedorov, O. A. Fedorova
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引用次数: 0
摘要
摘要 首次合成了基于含有三个螯合乙酰胺基团的吡啶-氮杂皇冠化合物的氮杂大环配体 Py3Am。通过核磁共振、质谱和红外光谱技术对其与镍和锌的配合物进行了表征,并通过单晶 X 射线衍射分析确定了它们的晶体结构。在这两种配合物中,过渡金属原子完全被包裹在大循环空腔中,形成了类似的配位环境。锌配合物结构中额外存在的外层 Na+ 阳离子对配合物的构象影响较小。尽管几何参数表明配体对于过渡金属小阳离子的配位并不理想,但这些供体基团的组合提供了配体的有效配位,这对于配合物在生物介质中的稳定性非常重要。
A New Pyridine-Azacrown Compound Py3Am and Crystal Structures of Its Complexes with Zn2+ and Ni2+ Cations
Abstract
The aza-macrocyclic ligand Py3Am based on a pyridine-azacrown compound containing three chelating acetamide groups is synthesized for the first time. Its complexes with nickel and zinc are characterized by NMR, mass, and IR spectroscopic techniques, and their crystal structures are determined by the single crystal X-ray diffraction analysis. In both complexes, the transition metal atom is completely encapsulated into the macrocycle cavity with the formation of a similar coordination environment. The presence of an additional outer-sphere Na+ cation in the structure of the zinc complex weakly affects the conformation of the complex. Despite that the geometric parameters indicate that the ligand is not ideal for the coordination of small cations of transition metals, a combination of these types of donor groups provides the efficient coordination of the ligand, which is important for the stability of complexes in a biological medium.
期刊介绍:
Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.