Journal of Catalysis ( IF 6.5 ) Pub Date : 2021-09-21 , DOI: 10.1016/j.jcat.2021.09.013 Naonari Sakamoto 1 , Keita Sekizawa 1 , Shunsuke Sato 1 , Masataka Ohashi 1 , Takamasa Nonaka 1 , Yusaku F. Nishimura 1 , Kosuke Kitazumi 1 , Takeshi Morikawa 1 , Takeo Arai 1
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Cu dinuclear coordination polymers in which two Cu atoms are bridged by a halogen reduce CO2 to C2 products. The distance between the two Cu atoms is expected to affect the C–C coupling reaction efficiency, herein we propose that a shorter Cu-Cu distance and desorption of bridging halogen elements from Cu atoms facilitate C2 formation from experimental results and DFT calculations. In many previous studies, the influence of factors other than the organic ligands has been overlooked in the structural design of metal complexes. The C2 product selectivity is greatly influenced by surrounding elements as well as organic ligands.
中文翻译：
通过调节卤素桥连双核亚铜配位聚合物中的 Cu-Cu 距离来改善电化学 CO2 还原
其中两个Cu原子被卤素桥接的Cu双核配位聚合物将CO 2还原为C 2产物。预计两个 Cu 原子之间的距离会影响 C-C 偶联反应的效率，在本文中，我们从实验结果和 DFT 计算中提出，较短的 Cu-Cu 距离和桥接卤素元素从 Cu 原子的解吸促进 C 2形成。在以往的许多研究中，金属配合物的结构设计中忽略了有机配体以外的因素的影响。C 2产物选择性受周围元素以及有机配体的影响很大。
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