State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering , Nanjing University , Nanjing 210023 , China.
Department of Chemistry , Chongqing Normal University , Chongqing 401331 , China.
Inorg Chem. 2019 Feb 18;58(4):2729-2735. doi: 10.1021/acs.inorgchem.8b03308. Epub 2019 Jan 31.
A new amide-functionalized metal-organic framework (AFMOF) with the combined feature of highly selective CO adsorption and high thermal and chemical stability, [Sc(μ-O)(L)(HO)Cl] [NJU-Bai49; NJU-Bai for Nanjing University Bai's group, HL = 5-(3,5-dicarboxybenzamido)isophthalic acid], was synthesized that exhibits 4.5 wt % CO uptake at 298 K and 0.15 bar and the highest selectivity for CO/N (166.7) among all AFMOFs. Grand canonical Monte Carlo simulations further indicate that both the decorated amide group and the open metal site act as CO binding sites, which may contribute to its highly selective CO uptake.
一种新型的酰胺功能化金属有机骨架（AFMOF），具有高选择性 CO 吸附和高热及化学稳定性的综合特点，[Sc(μ-O)(L)(HO)Cl] [NJU-Bai49; NJU-Bai 代表南京大学白教授的团队，HL = 5-(3,5-二羧基苯甲酰胺基)间苯二甲酸]，在 298 K 和 0.15 巴下表现出 4.5wt%的 CO 吸附量，在所有 AFMOFs 中具有最高的 CO/N（166.7）选择性。巨正则蒙特卡罗模拟进一步表明，装饰的酰胺基团和开放的金属位都作为 CO 结合位点，这可能有助于其高选择性的 CO 吸附。
