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Crystal structures, luminescence, and DFT study of mixed-ligand Zn(II) and Cd(II) complexes with phenyl-containing benzimidazole derivatives with linker CN or NN group
Journal of Luminescence ( IF 3.3 ) Pub Date : 2021-05-04 , DOI: 10.1016/j.jlumin.2021.118156
Svetlana E. Korolenko , Konstantin P. Zhuravlev , Vera I. Tsaryuk , Alexey S. Kubasov , Varvara V. Avdeeva , Еlena А. Malinina , Anatolii S. Burlov , Lyudmila N. Divaeva , Konstantin Yu. Zhizhin , Nikolay T. Kuznetsov

The peculiarities of photoluminescence of zinc(II) and cadmium(II) compounds with benzimidazole derivatives L1 (1-methylbenzimidazo-2-yl-methyleneaniline) and L2 (1-ethyl-2-(4-methoxyphenyl)azobenzimidazole) containing electron-donating ligands Cl, NO3, or [B10H10]2– were studied. It was found that most compounds with L1 are green luminophores, while compounds with L2 are red luminophores. The intensity of the luminescence and the position of the emission band depending on the composition and structure of the complexes were analyzed. The use of the single-crystal X-ray diffraction data and the density functional theory (DFT) calculations made it possible to determine the general relationships between the structural and spectroscopic characteristics of the compounds.



中文翻译:

配体Zn(II)和Cd(II)与具有连接子C 双键N或N 双键N基团的含苯基苯并咪唑衍生物的配合物的晶体结构,发光和DFT研究

锌(II)和镉(II)化合物与苯并咪唑衍生物L 1(1-甲基苯并咪唑-2-基-亚甲基苯胺)和L 2(1-乙基-2-(4-甲氧基苯基)偶氮苯并咪唑)的光致发光特性-donating配体氯-,NO 3 - ,或[B 10 ħ 10 ] 2-进行了研究。发现大多数具有L 1的化合物是绿色发光体,而具有L 2的化合物是红色的发光体。根据配合物的组成和结构,分析了发光强度和发射带的位置。使用单晶X射线衍射数据和密度泛函理论(DFT)计算可以确定化合物的结构特征与光谱特征之间的一般关系。

更新日期:2021-05-08
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