Probing Valence Electronic Structures of Fe(III)- and Fe(IV)-Bisamide Complexes Using Fe KBeta XES and 1s3p RIXS

We have synthesized a series of Fe(III)- and Fe(IV)-bisamide complexes to systematically study ligand effects on electronic structures and bonding of the Fe-N4 cores. Herein, we propose to probe the valence electronic structures of these complexes using Fe KBeta x-ray emission (XES) and 1s3p resonant inelastic x-ray scattering (RIXS). Results from these experiments will yield insights that can facilitate our study of reactive intermediates in complex biocatalytic systems, and potentially provide guidance for the development of novel molecular catalysts in the future.

我们合成了一系列三价铁(Fe(III))与四价铁(Fe(IV))双酰胺配合物，以系统性探究配体对Fe-N4核心的电子结构及成键特性的影响。本文拟采用铁Kβ X射线发射谱(XES)与1s3p共振非弹性X射线散射(RIXS)技术，表征此类配合物的价层电子结构。上述实验所得结果将为我们深入解析复杂生物催化体系中的反应中间体提供关键认知，同时有望为未来新型分子催化剂的研发提供理论指引。