Bioinspired Metal-Organic Framework for Trace CO2 Capture
Bioinspired Metal-Organic Framework for Trace CO2 Capture
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DOI：
10.1021/jacs.8b06109
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发表时间：
2018-10-10
影响因子：
15
通讯作者：
Ho, W. S. Winston
中科院分区：
文献类型：
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作者：
Bien, Caitlin E.;Chen, Kai K.;Ho, W. S. Winston
Zn 苯并三唑盐金属有机骨架 (MOF) [Zn(ZnO2CCH3)(4)(bibta)(3)] (1, bibta(2-) = 5,5'-联苯并三唑盐) 经过温和的 CH3CO2-/HCO3- 配体交换过程，然后进行热活化，生成类似于 α-碳酸酐酶活性位点的亲核 Zn-OH 基团。后合成改性的 MOF，[Zn-(ZnOH)(4)(bibta)(3)] (2*)，对微量 CO 表现出优异的捕获性能，并且可以在温和的温度下再生。红外光谱数据和密度泛函理论 (DFT) 计算表明，簇间氢键相互作用增强了 Zn-OH/Zn-O2COH 固定机制。
A Zn benzotriazolate metal-organic framework (MOF), [Zn(ZnO2CCH3)(4)(bibta)(3)] (1, bibta(2-) = 5,5'-bibenzotriazolate), has been subjected to a mild CH3CO2-/HCO3- ligand exchange procedure followed by thermal activation to generate nucleophilic Zn-OH groups that resemble the active site of alpha-carbonic anhydrase. The postsynthetically modified MOF, [Zn-(ZnOH)(4)(bibta)(3)] (2*), exhibits excellent performance for trace CO, capture and can be regenerated at mild temperatures. IR spectroscopic data and density functional theory (DFT) calculations reveal that intercluster hydrogen bonding interactions augment a Zn-OH/Zn-O2COH fixation mechanism.