论文标题
金属化的多孔 - 有机聚合物渲染器芥末气模拟无害：核心平面图
Metalated Porous-Organic-Polymer Renders Mustard-Gas Simulant Harmless: Core Planarity Matters
论文作者
论文摘要
金属有机框架（MOF）中的开放活性金属位点的存在表现出较高的催化活性。但是，由于协调键，MOF在异质催化中的合理成就受到限制。最近平衡的特征与共价键（结构稳定性）和开放金属位点（单位催化）的组合引入了一种完全有机的替代体系结构，称为金属的多孔和有机聚合物（M-POPS）。在这项贡献中，我们通过三元共聚方法成功地展示了两种Fe-Pop（Fe-TT-Pop＆Fe-Rb-pop），用于对不同的基于硫的芥末气体模拟剂的催化氧化氧化净化。 Fe-TT-POP表现出与Fe-RB-POP相比（13H）相比，根据转化率（13 h）在转化率（13小时后的99％）中研究的催化性能（TA）（13H后43％）。通过原位操作弥漫性反射率红外傅立叶变换光谱（漂移）分析，研究了催化性能催化性能的机械途径的显着差异，并由密度功能理论（DFT）计算研究补充。
The presence of open active metal sites in Metal-Organic Frameworks (MOFs) exhibit higher catalytic activity. However, rational accomplishment of MOFs in heterogeneous catalysis is limited due to coordination bonds. Recently balanced characteristic feature with combination of both the covalent bonds (structural stability) and open metal sites (single site catalysis) introduced an entirely organic alternative architecture named as Metalated Porous-Organic-Polymers (M-POPs). In this contribution, we demonstrate successful construction of two Fe-POPs (Fe-Tt-POP & Fe-Rb-POP) by ternary copolymerization approach for catalytic oxidative decontamination of different sulfur-based mustard gas simulants. Fe-Tt-POP exhibited superior catalytic performance for oxidation of the thioanisole (TA) studied in terms of conversion (99% after 13 h) in comparison with Fe-Rb-POP (43% after 13h). The remarkable difference in the mechanistic pathways towards catalytic performance for oxidation of TA was investigated by in situ operando Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) analysis, complemented by Density Functional Theory (DFT) computational study.
