Copper complex with 1,10-phenanthroline was synthesized by a partially modified method. This complex exhibited relatively high catalytic activity in the oxidation of cyclohexanol with tert-butyl hydroperoxide. The complex was characterized by CW EPR spectroscopy (X-band) at room temperature, and results were compared with calculations carried out by the density functional theory (DFT) method. Partial comparison of the EPR and DFT results with X-ray data proves our hypothesis that the structure and spectral properties of the same copper complex in solutions and in a crystalline state may be different.

中文翻译：

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1,10-菲咯啉铜(II)配合物催化叔丁基过氧化氢氧化环己醇的EPR和DFT研究

1,10-菲咯啉的铜络合物采用部分改进的方法合成。该配合物在用叔丁基过氧化氢氧化环己醇中表现出较高的催化活性。该复合物在室温下通过 CW EPR 光谱（X 波段）进行表征，并将结果与​​通过密度泛函理论 (DFT) 方法进行的计算进行比较。EPR 和 DFT 结果与 X 射线数据的部分比较证明了我们的假设，即相同铜络合物在溶液和结晶状态下的结构和光谱特性可能不同。