Tuning Active Site Flexibility by Defect Engineering of Graphene Ribbon Edge-hosted Fe−N3 Sites,Angewandte Chemie International Edition

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Tuning Active Site Flexibility by Defect Engineering of Graphene Ribbon Edge-hosted Fe−N3 Sites
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2023-12-11 , DOI: 10.1002/anie.202311174
Piaoping Yang _{1,

2} , Jiang Li ₃ , Dionisios G Vlachos _{1,

2} , Stavros Caratzoulas ₁

Affiliation

This paper elucidates the critical role of vertical displacement of Fe atom, which can be modulated by defect engineering, in tuning the electron structure and stabilizing the transition state of rate-determining step, and demonstrates that the catalytic transfer hydrogenation activity is determined by the flexibility of Fe−N₃ site, which is further affected by the Fe−N bond length. Importantly, this simple geometric parameter is tunable and readily probed experimentally.

中文翻译：

通过石墨烯带边缘托管 Fe−N3 位点的缺陷工程调整活性位点灵活性

本文阐明了可通过缺陷工程调节的 Fe 原子垂直位移在调节电子结构和稳定速率决定步骤的过渡态方面的关键作用，并证明催化转移氢化活性是由灵活性决定的Fe−N ₃位点的数量，进一步受到 Fe−N 键长的影响。重要的是，这个简单的几何参数是可调的，并且很容易通过实验进行探测。

更新日期：2023-12-11

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