合成后修饰的氧化物交换的Ni2(OR)2BTDD:CO2与开放金属位点和功能组的协同相互作用
Sumin Yu1, Namju Kim1, Jong Hyeak Choe1
1Department of Chemistry, Korea University, Seoul, 02841, Republic of Korea.
Angewandte Chemie (International ed. in English)
|March 19, 2024
概括
这项研究引入了一种通过交换连接物引入氧化物来修改金属有机框架 (MOF) 的新方法. 这一过程保留了关键的开放金属位点,大大提高了所产生的MOF中二氧化碳的吸收.
科学领域:
- 材料科学 材料科学 材料科学
- 化学 化学 化学
- 纳米技术 纳米技术
背景情况:
- 合成后修改 (PSM) 通过开放金属位点 (OMS) 功能化或连接物交换来增强金属有机框架 (MOF).
- 在连接体交换期间保存OMS是具有挑战性的,因为传入的连接体可以占据这些位置.
研究的目的:
- 通过通过PSM在Ni2Cl2BTDD中交换桥梁化物,将氧化物引入MOF.
- 调查OMS的保存以及对二氧化碳吸收和稳定性的影响.
主要方法:
- 合成后修饰 (PSM) 涉及与氧化物交换Ni2Cl2BTDD中的桥梁化物的连接物.
- 瑞特维尔德对同步射线X射线衍射数据的改进,以确认结构变化和OMS保存.
- 气体吸附测量 (二氧化碳吸收) 和水稳定性测试.
- 大法典蒙特卡罗 (GCMC) 模拟以阐明二氧化碳相互作用机制.
主要成果:
- 通过在Ni2Cl2BTDD中交换桥梁化物,成功地引入了氧化物组,从而保存了OMS.
- 与原始MOF相比,氧化物交换的MOF显示出更高的二氧化碳吸收.
- 用三氧化物替代的Ni_T显著增加了二氧化碳的吸收 (在0.15bar时几乎增加了三倍),并提高了水的稳定性.
- GCMC模拟显示了CO2与OMS和Ni_T中的三氧化甲基基的相互作用,解释了增强的容量.
结论:
- 一个简单而独特的合成策略被开发出来,通过桥接连体交换来创建含有保存的OMS的MOF.
- 引入的氧化物功能组与OMS协同,显著提高了二氧化碳吸附能力.
- 氧化物功能化的MOF为碳捕获应用提供了一个有前途的平台.
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