The scission and homologation of CO is a fundamental process in the Fischer-Tropsch reaction. However, given the heterogeneous nature of the catalyst and forcing reaction conditions, it is difficult to determine the intermediates of this reaction. Here we report detailed mechanistic insight into the scission/homologation of CO by two-coordinate iron terphenyl complexes. Mechanistic investigations, conducted using in situ monitoring and reaction sampling techniques (IR, NMR, EPR and Mössbauer spectroscopy) and structural characterisation of isolable species, identifies a number of proposed intermediates. Crystallographic and IR spectroscopic data reveal a series of migratory insertion reactions from 1Mes to 4Mes. Further studies past the formation of 4Mes suggest that ketene complexes are formed enroute to squaraine 2Mes and iron carboxylate 3Mes, with a number of ketene containing structures being isolated, in addition to the formation of unbound, protonated ketene. The synthetic and mechanistic studies are supported by DFT calculations.

中文翻译：

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Fe(II) 介导的方酸化合物合成的机理研究

CO的裂解和同系化是费托反应的基本过程。然而，考虑到催化剂的非均相性质和强制反应条件，很难确定该反应的中间体。在这里，我们报告了二配位铁三联苯配合物对 CO 断裂/同系化的详细机制见解。使用原位监测和反应采样技术（IR、NMR、EPR 和穆斯堡尔光谱）进行机理研究以及可分离物质的结构表征，确定了许多拟议的中间体。晶体学和红外光谱数据揭示了从 1Mes 到 4Mes 的一系列迁移插入反应。 4Mes 形成之后的进一步研究表明，乙烯酮配合物是在形成方酸菁 2Mes 和羧酸铁 3Mes 的过程中形成的，除了形成未结合的质子化乙烯酮外，还分离出了许多含乙烯酮的结构。 DFT 计算支持合成和机理研究。