Structural investigation of the catalytic activity of Fe(III) and Mn(III) Schiff base complexes
Structural investigation of the catalytic activity of Fe(III) and Mn(III) Schiff base complexes
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Fe(III) 和 Mn(III) 希夫碱配合物催化活性的结构研究
DOI：
10.1016/j.poly.2021.115206
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发表时间：
2021
期刊：
影响因子：
2.6
通讯作者：
K. Ouari
中科院分区：
文献类型：
--
作者：
Sabrina Bendia;Riadh Bourzami;J. Weiss;K. Ouari
合成了两种新型的N，N-二（1-萘二甲亚胺）苯二胺锰（III）和铁（III）配合物，并通过X-射线单晶结构分析等手段对其进行了表征。配体属于单斜晶系，空间群为P21/c。Hirschfeld表面和指纹图的详细分析提供了对配体中非共价相互作用性质的深入了解。实验数据已补充和解释的光密度泛函理论计算进行了使用B3 LYP方法有关分子的几何形状，振动频率和电化学势。在二甲基甲酰胺中的循环伏安法揭示了可逆的氧化还原过程中的两个配合物，这表明可能的催化反应，涉及这些配合物的电子转移过程。考察了锰（III）和铁（III）配合物在分子氧氧化环己烯反应中的催化效率和选择性。结果表明，催化剂的催化性能取决于金属的性质，在O2存在下，最有效的催化剂是铁（III）配合物。下文提出并讨论了络合物氧化环己烯的可能机理。
Two novel manganese (III) and iron (III) complexes of anN,N-bis(1-naphthalidimine)-ophenylene diamine ligand have been successfully synthesized and characterized by various analytical techniques including single crystal X-ray structure analysis. The ligand crystallizes in the monoclinic system with space groupP21/c. The detailed analyses of Hirschfeld surface and fingerprint plots provide insight into the nature of non-covalent interactions in the ligand. Experimental data have been complemented and interpreted in the light of Density Functional Theory calculation was performed using the B3LYP method concerning molecular geometries, vibrational frequencies and electrochemical potentials. Cyclic voltammetry in dimethylformamide revealed reversible redox processes in both complexes, suggesting possible catalytic reactivity involving electron transfer process for these complexes. The catalytic efficiency and selectivity of manganese (III) and iron (III) complexes was tested in the oxidation of cyclohexene with molecular oxygen. The results show that the catalytic performance depends on the nature of metal, the most efficient catalyst in the presence of O2beingthe iron (III) complex. A plausible mechanism for cyclohexene oxidation by complexes is proposed and discussed hereafter.
影响因子：
7.8
作者：
Solomon, Edward I.;Wong, Shaun D.;Liu, Lei V.;Decker, Andrea;Chow, Marina S.
通讯作者：
Chow, Marina S.