Center of Basic Molecular Science (CBMS), Department of Chemistry, Tsinghua University, Beijing 100084 (China).
Angew Chem Int Ed Engl. 2015 Apr 13;54(16):4909-14. doi: 10.1002/anie.201411625. Epub 2015 Feb 10.
Electrocatalytic water oxidation using the oxidatively robust 2,7-[bis(2-pyridylmethyl)aminomethyl]-1,8-naphthyridine ligand (BPMAN)-based dinuclear copper(II) complex, Cu2(BPMAN)(μ-OH), has been investigated. This catalyst exhibits high reactivity and stability towards water oxidation in neutral aqueous solutions. DFT calculations suggest that the O-O bond formation takes place by an intramolecular direct coupling mechanism rather than by a nucleophilic attack of water on the high-oxidation-state Cu(IV)=O moiety.
使用氧化稳定的 2,7-双(2-吡啶基甲基)氨甲基-1,8-萘啶配体(BPMAN)的双核铜(II)配合物[Cu2(BPMAN)(μ-OH)] (3+)进行电催化水氧化反应已有研究。该催化剂在中性水溶液中对水氧化具有高反应活性和稳定性。密度泛函理论(DFT)计算表明，O-O 键的形成是通过分子内直接耦合机制而不是亲核攻击高氧化态 Cu(IV)=O 部分发生的。
