Chemical Physics Letters ( IF 2.8 ) Pub Date : 2017-11-09 , DOI: 10.1016/j.cplett.2017.11.010 M.T. Klepka , A. Drzewiecka-Antonik , A. Wolska , P. Rejmak , M. Struga
The molecular structure of Cu(II) complexes, obtained using direct and electrochemical synthesis, with 4-oxo-4H-chromene-2-carboxylic acid, 2-oxo-2H-chromene-3-carboxylic acid and (7-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid have been studied. Due to difficulties in obtaining complexes as monocrystals the combination of laboratory based methods with X-ray absorption spectroscopy supported with density functional theory calculations has been employed. Complexes were found to be mono- and di-nuclear. Different coordination modes were also observed: monodentate, bidentate chelating and carboxylate bridges. The octahedral geometry was found for complex with 2-carboxylic acid whereas for the other two the tetragonal pyramid was formed around copper cations.
中文翻译:
使用直接和电化学合成获得的具有香豆酸衍生物的Cu(II)配合物的结构研究。
使用直接和电化学合成方法与4-oxo-4H-chromne-2-羧酸,2-oxo-2H-chromene-3-羧酸和(7-羟基-2已经研究了-oxo-2H-chromen-4-yl)乙酸。由于难以获得作为单晶的复合物,因此采用了基于实验室的方法与X射线吸收光谱法的结合,并辅以密度泛函理论计算。发现复合物是单核和双核的。还观察到了不同的配位方式:单齿,双齿螯合和羧酸酯桥。发现与2-羧酸形成络合物的八面体几何形状,而对于其他两个,发现在铜阳离子周围形成了四棱锥。