Abstract Coordination of the ligands derived from benzimidazole with Cr(III) led to the formation of new fluorescent Cr (III) complexes. The structures of the new complexes were established by spectral, analytical data and Job’s method and an octahedral geometry was proposed for the complexes. Also, the DFT methods were employed to gain a deeper insight into geometry and spectral properties of the new Cr (III) complexes. The DFT-calculated vibrational modes of Cr(III) complexes are in good agreement with the experimental values, confirming suitability of the optimized geometries for the complexes. Fluorescent ligands and chromium complexes were spectrally characterized by UV–Vis and fluorescence spectroscopy. Results revealed that Cr(III) complexes generate fluorescence in dilute solution of DMSO. Calculated electronic absorption spectra were also provided by time-dependent density functional theory (TD-DFT) method. The new complexes exhibited potent antibacterial activity against a panel of strains of Gram negative bacterial and Gram positive species and their MIC was also determined. Two strains of Gram positive and two strains of Gram negative bacteria.

中文翻译：

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新型荧光 Cr(III) 配合物的合成、表征、量子化学研究和抗菌研究

摘要 衍生自苯并咪唑的配体与 Cr(III) 的配位导致形成新的荧光 Cr (III) 配合物。新配合物的结构是通过光谱、分析数据和乔布的方法建立的，并提出了八面体几何形状。此外，采用 DFT 方法更深入地了解新 Cr (III) 配合物的几何形状和光谱特性。Cr(III) 配合物的 DFT 计算振动模式与实验值非常吻合，证实了优化几何形状对配合物的适用性。荧光配体和铬配合物通过紫外-可见光和荧光光谱进行光谱表征。结果表明，Cr(III) 配合物在 DMSO 的稀溶液中产生荧光。计算的电子吸收光谱也由时间相关密度泛函理论 (TD-DFT) 方法提供。新的复合物对一组革兰氏阴性细菌和革兰氏阳性菌种的菌株表现出有效的抗菌活性，并且还测定了它们的 MIC。两株革兰氏阳性菌和两株革兰氏阴性菌。