Two copper(II) complexes have been synthesized and characterized using elemental and spectral analysis. The molecular structures of both complexes have been confirmed by single crystal X-ray analysis. The stability of the metal centre was examined using cyclic and differential pulse voltammetry in DMSO solution. X-band electron paramagnetic spectra were recorded both in solid and frozen solution to confirm the d⁹ configuration. Frozen solution spectra of complexes have the trend in the spin Hamiltonian parameters g_ǁ > g > 2.0023 and A_ǁ 156 x 10^-4 cm^-1 revealing a d_{x²-y² ground state with tetragonal symmetry for copper(II) ion. Density functional calculations have been performed and results are found to agree with the experimental results. Antibacterial activities of complexes were screened by taking gram-positive and gram-negative bacteria. Further, in vitro antioxidant (superoxide dismutase) properties of 1 and 2 showed considerable activity compared to other SOD mimics.}

中文翻译：

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新型单核和多核铜（II）配合物：结构表征，量子化学计算和抗氧化剂超氧化物歧化酶研究

已经合成了两种铜（II）配合物，并使用元素分析和光谱分析进行了表征。两种配合物的分子结构已经通过单晶X射线分析证实。使用DMSO溶液中的循环和差分脉冲伏安法检测金属中心的稳定性。在固溶和冷冻溶液中均记录了X带电子顺磁光谱，以确认d ⁹构型。复合物的冷冻溶液光谱具有在旋转的趋势哈密顿参数克_ǁ >克> 2.0023和A _ǁ 156×10 ^-4厘米^-1揭示广告_{X ² - ÿ ²铜（II）离子具有四方对称的基态。进行密度函数计算，结果与实验结果一致。通过摄取革兰氏阳性和革兰氏阴性细菌来筛选复合物的抗菌活性。此外，与其他SOD模拟物相比，1和2的体外抗氧化剂（超氧化物歧化酶）特性显示出可观的活性。}