Rodríguez-Rubio Andrea, Yuste Álvaro, Torroba Tomás, García-Herbosa Gabriel, Cuevas-Vicario José V
Departamento de Química, Facultad de Ciencias, Universidad de Burgos, 09001 Burgos, Spain.
Molecules. 2024 Aug 28;29(17):4081. doi: 10.3390/molecules29174081.
In this work, we have prepared and characterized some gold compounds wearing a N-heterocyclic carbene (NHC) ligand as well as alkynyl derivatives with different substituents. The study of their electrochemical behavior reveals that these complexes show an irreversible wave at potentials ranging between -2.79 and -2.91 V, referenced to the ferrocenium/ferrocene pair. DFT calculations indicate that the reduction occurs mainly on the aryl-C≡C fragment. The cyclic voltammetry experiments under CO atmosphere show an increase in the faradaic current of the reduction wave compared to the experiments under argon atmosphere, indicating a possible catalytic activity towards the carbon dioxide reduction reaction (CORR).
在本工作中，我们制备并表征了一些带有N-杂环卡宾（NHC）配体的金化合物以及具有不同取代基的炔基衍生物。对其电化学行为的研究表明，这些配合物在相对于二茂铁鎓/二茂铁电对为-2.79至-2.91 V的电位范围内显示出不可逆波。密度泛函理论（DFT）计算表明，还原主要发生在芳基-C≡C片段上。与氩气气氛下的实验相比，CO气氛下的循环伏安实验显示还原波的法拉第电流增加，表明对二氧化碳还原反应（CORR）可能具有催化活性。
