A(2)B type copper(III)corroles containing zero-to-five fluorine atoms: Synthesis, electronic structure and facile modulation of electrocatalyzed hydrogen evolution

作者：Li, Minzhi; Niu, Yingjie; Zhu, Weihua^*; Mack, John^*; Fomo, Gertrude; Nyokong, Tebello; Liang, Xu^*

来源：Dyes and Pigments, 2017, 137: 523-531.

DOI：10.1016/j.dyepig.2016.10.044

• Cu(III)corrole
• Electronic structure
• TD-DFT calculation
• Hydrogen evolution

Four low symmetric A(2)B meso-substituted Cu(III)corroles with electron withdrawing meso-aryl rings have been synthesized and characterized. A detailed analysis of the optical and redox properties has been carried out by comparing their optical spectroscopy, electrochemistry and spectroelectrochemistry to a series of DFT and TD-DFT calculations. A series of experiments demonstrate that these Cu(III)corroles can be used as highly effective catalysts for hydrogen evolution reactions (HERs). Moreover, when the number of fluorine atoms at B meso-position is increased, there is a marked enhancement in the catalytic ability of the corrole complexes, which demonstrates that modification to the structures of low symmetry corroles is a useful strategy for developing new HER catalysts.

• 出版日期2017-2
• 单位江苏大学