Efficient C2 Hydrocarbons and CO2 Adsorption and Separation in a Multi-site Functionalized MOF

• 作者: LI Gao-Peng LI Zhen-Zhen XIE Hong-Fang FU Yun-Long WANG Yao-Yu
• 来源期刊: 结构化学
• 年，卷（期）: 2021,（8）
• 所属期刊栏目: coordination chemistry
• 页码范围: 1047-1054
• 页数: 8页
• 语种: 英文
• DOI: 10.14102/j.cnki.0254-5861.2011-3094

摘要

A multi-site functionalized microporous metal-organic framework(MOF),H[Zn2(BDP)0.5(ATZ)3]·0.5H20.0.5DMF(1),was synthesized through mixed ligands strategy.The pore surface of complex 1 was modified by uncoordinated carboxylate O atoms,phenyl and pyridyl rings as well as-NH2 groups,which strengthen interactions with C2H6,C2H4 and CO2 molecules and lead to efficiently selective C2H6,C2H4 and CO2 uptake over CH4.The selective adsorption mechanism was discussed deeply based on Grand Canonical Monte Carlo(GCMC)simulations.It is expected that this study will provide a new perspective for the rational design and synthesis of MOFs with efficient gas adsorption and separation performance.