Department of Chemical Engineering, University of Bonab, P.O. Box. 5551395133, Bonab, Iran.
Department of Chemistry, University of Sistan and Baluchestan, Zahedan, P.O. Box 98135-674, Iran.
J Environ Manage. 2024 Jan 15;350:119545. doi: 10.1016/j.jenvman.2023.119545. Epub 2023 Nov 22.
A novel octahedral distorted coordination complex was formed from a copper transition metal with a bidentate ligand (1,10-Phenanthroline) and characterized by Ultraviolet-visible spectroscopy, Ultraviolet-visible diffuse reflectance spectroscopy, Fourier-transform infrared spectroscopy, Brunauer-Emmett-Teller, Field emission scanning electron microscopy, and Single-crystal X-ray diffraction. The Hirshfeld surface and fingerprint plot analyses were conducted to determine the interactions between atoms in the Cu(II) complex. DFT calculations showed that the central copper ion and its coordinated atoms have an octahedral geometry. The Molecular electrostatic potential (MEP) map indicated that the copper (II) complex is an electrophilic compound that can interact with negatively charged macromolecules. The HOMO-LUMO analysis demonstrated the π nature charge transfer from acetate to phenanthroline. The band gap of [Cu(phen)(OAc)]·PF photocatalyst was estimated to be 2.88 eV, confirming that this complex is suitable for environmental remediation. The photocatalytic degradation of erythrosine, malachite green, methylene blue, and Eriochrome Black T as model organic pollutants using the prepared complex was investigated under visible light. The [Cu(phen)(OAc)]·PF photocatalyst exhibited degradation 94.7, 90.1, 82.7, and 74.3 % of malachite green, methylene blue, erythrosine, and Eriochrome Black T, respectively, under visible illumination within 70 min. The results from the Langmuir-Hinshelwood kinetic analysis demonstrated that the Cu(II) complex has a higher efficiency for the degradation of cationic pollutants than the anionic ones. This was attributed to surface charge attraction between photocatalyst and cationic dyes promoting removal efficiency. The reusability test indicated that the photocatalyst could be utilized in seven consecutive photocatalytic degradation cycles with an insignificant decrease in efficiency.
一种新型的八面体扭曲配位化合物是由铜过渡金属与双齿配体（1,10-菲咯啉）形成的，并通过紫外-可见光谱、紫外-可见漫反射光谱、傅里叶变换红外光谱、BET、场发射扫描电子显微镜和单晶 X 射线衍射进行了表征。通过 Hirshfeld 表面和指纹图分析确定了 Cu(II)配合物中原子之间的相互作用。DFT 计算表明，中心铜离子及其配位原子具有八面体几何形状。分子静电势 (MEP) 图表明，该铜(II)配合物是一种亲电化合物，可以与带负电荷的大分子相互作用。HOMO-LUMO 分析表明，来自醋酸根的π 性质电荷转移到菲咯啉上。[Cu(phen)(OAc)]·PF 光催化剂的能带隙估计为 2.88 eV，证实该配合物适用于环境修复。在可见光下，研究了制备的配合物对模型有机污染物碱性品红、孔雀石绿、亚甲基蓝和 Eriochrome Black T 的光催化降解性能。[Cu(phen)(OAc)]·PF 光催化剂在可见光照射下分别对孔雀石绿、亚甲基蓝、碱性品红和 Eriochrome Black T 的降解率达到 94.7%、90.1%、82.7%和 74.3%。Langmuir-Hinshelwood 动力学分析结果表明，Cu(II)配合物对阳离子污染物的降解效率高于阴离子污染物。这归因于光催化剂与阳离子染料之间的表面电荷吸引，促进了去除效率。重复使用试验表明，该光催化剂在七个连续的光催化降解循环中可重复使用，且效率没有明显下降。
