Combining synthesis, infrared spectroscopy, and ab initio modeling we show that the titanium-based porous framework Ti-MOF-74 has potential as an environmental nitric oxide (NO) scavenger, exhibiting an extraordinarily strong binding affinity and selectivity over other flue-gas components. The robustness upon exposure to water vapor and high flue-gas stack temperatures suggests that this material can perform well in an industrial environment. In-depth analysis of the Ti-NO bond indicates that the NO forms a strong covalent bond with the Ti. The process of this NO bond formation involves a reaction with the OH- capping groups of the Ti to form NOx groups, after which the excess NO binds to the open Ti metal sites. Ti-MOF-74 thus becomes, to the best of our knowledge, the first known porous framework that binds NO significantly stronger than water, providing novel avenues for environmental and physiological scavenging applications.

中文翻译：

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作为强结合一氧化氮清除剂的多孔 Ti-MOF-74 框架

结合合成、红外光谱和 ab initio 建模，我们表明钛基多孔骨架 Ti-MOF-74 具有作为环境一氧化氮 (NO) 清除剂的潜力，与其他烟气成分相比表现出非常强的结合亲和力和选择性. 暴露于水蒸气和高烟道气温度时的坚固性表明这种材料在工业环境中表现良好。对 Ti-NO 键的深入分析表明，NO 与 Ti 形成了强共价键。这种 NO 键的形成过程涉及与 Ti 的 OH 封端基团反应形成 NOx 基团，之后过量的 NO 结合到开放的 Ti 金属位点。因此，据我们所知，Ti-MOF-74 成为第一个已知的多孔骨架，其结合 NO 的能力明显强于水，