Hu, Bihua; Xie, Weiwei; Li, Ruchun; Pan, Zhangweihao; Song, Shuqin; Wang, Yi published the article 《How does the ligands structure surrounding metal-N4 of Co-based macrocyclic compounds affect electrochemical reduction of CO2 performance?》. Keywords: ligand structure metal nitrogen cobalt macrocyclic compound; electrochem reduction carbon dioxide electrocatalyst.They researched the compound: 5,10,15,20-Tetrakis (4-methoxyphenyl)-21H,23H-porphine cobalt (II)( cas:28903-71-1 ).Formula: C48H38CoN4O4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:28903-71-1) here.
Metal-Nx-C based materials have emerged as one of the most promising electrocatalysts for electrochem. reduction of CO2 (ERCD). Co-based macrocyclic compounds showed unique performance, however, of which the relation between the ligands structure surrounding Co-N4 centers and reaction mechanism remains vague. To explore this issue, here, Co-based macrocyclic compounds are elaborately chosen as model catalysts, including phthalocyanine Co (CoPc), Co (II) meso-Tetraphenylporphine (CoTp) and Co tetramethoxyphenylporphyrin (CoTop), which possess well-defined Co-N4 coordinated centers but different ligands structure surrounding Co-N4. Electrochem. measurements show that CoPc possesses higher activity and selectivity for CO with faradaic efficiency (FE) >62% at -0.7 V (vs. RHE) relative to those of CoTp and CoTop. Combining d. functional theory (DFT) calculations, further CoPc is more favorable for ERCD to CO due to the rapid formation of key intermediate COOH* and the desorption of CO, demonstrating that the structure of ligands (phthalocyanine) surrounding Co-N4 plays a crucial role in the high CO selectivity. It can be anticipated that an exclusive strategy will pave a new avenue for further understanding the ERCD mechanism of Co-Nx-C catalysts.
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Reference:
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Iodide – an overview | ScienceDirect Topics – ScienceDirect.com