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Breaking Scaling Relationships in CO2 Electroreduction with Isoelectronic Analogs [Fe4N(CO)12]− and [Fe3MnO(CO)12]−
Organometallics ( IF 2.5 ) Pub Date : 2020-03-02 , DOI: 10.1021/acs.organomet.9b00848 Cody R. Carr 1 , David B. Cluff 1 , Louise A. Berben 1
Organometallics ( IF 2.5 ) Pub Date : 2020-03-02 , DOI: 10.1021/acs.organomet.9b00848 Cody R. Carr 1 , David B. Cluff 1 , Louise A. Berben 1
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[Fe4N(CO)12]− and [Fe3MnO(CO)12]− have the same total electron count and overall charge, as well as similar reduction potentials of −1.21 and −1.17 V vs SCE in MeCN, respectively. Both clusters form the reduced hydride upon single electron transfer (ET) and proton transfer (PT). It is known that [Fe4N(CO)12]− is an electrocatalyst for selective CO2 reduction to formate at −1.2 V vs SCE in either pH 7 buffered water or in MeCN/H2O (95:5) and an effective electrocatalyst for H+ reduction to H2 under N2 under the same conditions. In contrast, [Fe3MnO(CO)12]− affords no products upon electrolysis, beyond [H-Fe3MnO(CO)12]−. We determine that [H-Fe3MnO(CO)12]− is a weaker hydride donor than [H-Fe4N(CO)12]− by about 4 kcal mol–1, and this is a breaking of the hydricity versus reduction potential scaling relationship previously established for a series of metal carbonyl clusters electrocatalysts.
中文翻译：
等电模拟[Fe 4 N（CO）12 ] -和[Fe 3 MnO（CO）12 ] -的CO 2电还原中的破坏尺度关系
[Fe4N(CO)12]− and [Fe3MnO(CO)12]− have the same total electron count and overall charge, as well as similar reduction potentials of −1.21 and −1.17 V vs SCE in MeCN, respectively. Both clusters form the reduced hydride upon single electron transfer (ET) and proton transfer (PT). It is known that [Fe4N(CO)12]− is an electrocatalyst for selective CO2 reduction to formate at −1.2 V vs SCE in either pH 7 buffered water or in MeCN/H2O (95:5) and an effective electrocatalyst for H+ reduction to H2 under N2在相同条件下。相反，[Fe 3 MnO（CO）12 ] -在电解时不提供任何产物，超过[H-Fe 3 MnO（CO）12 ] -。我们确定，[H-Fe 3 MnO（CO）12 ] -是比[H-Fe 4 N（CO）12 ] -弱的氢化物供体，约为4 kcal mol –1，这是相对于还原电位的比例关系以前建立了一系列的金属羰基簇电催化剂。
更新日期：2020-03-02
中文翻译：
等电模拟[Fe 4 N（CO）12 ] -和[Fe 3 MnO（CO）12 ] -的CO 2电还原中的破坏尺度关系
[Fe4N(CO)12]− and [Fe3MnO(CO)12]− have the same total electron count and overall charge, as well as similar reduction potentials of −1.21 and −1.17 V vs SCE in MeCN, respectively. Both clusters form the reduced hydride upon single electron transfer (ET) and proton transfer (PT). It is known that [Fe4N(CO)12]− is an electrocatalyst for selective CO2 reduction to formate at −1.2 V vs SCE in either pH 7 buffered water or in MeCN/H2O (95:5) and an effective electrocatalyst for H+ reduction to H2 under N2在相同条件下。相反，[Fe 3 MnO（CO）12 ] -在电解时不提供任何产物，超过[H-Fe 3 MnO（CO）12 ] -。我们确定，[H-Fe 3 MnO（CO）12 ] -是比[H-Fe 4 N（CO）12 ] -弱的氢化物供体，约为4 kcal mol –1，这是相对于还原电位的比例关系以前建立了一系列的金属羰基簇电催化剂。
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