Multipoint Interactions Enhanced CO2 Uptake: A Zeolite-like Zinc–Tetrazole Framework with 24-Nuclear Zinc Cages
作者： Ping Cui , Yu-Guang Ma , Huan-Huan Li , Bin Zhao , Jian-Rong Li
DOI: 10.1021/JA3063138
关键词:
摘要: A zeolite-like microporous tetrazole-based metal–organic framework (MOF) with 24 nuclear zinc cages was synthesized and characterized. It exhibits high CO2 adsorption capacity up to 35.6 wt % (8.09 mmol/g) excellent CO2/CH4 selectivity at 273 K/1 bar, being among the highest values known date. Theoretical calculations based on simulated annealing techniques periodic DFT revealed that is predominantly located around inner surface of through multipoint interactions, in particular, aromatic tetrazole rings. Importantly, it first time interactions between molecules frameworks resulting uptake are observed.
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