Induced Fit of C2H2 in a Flexible MOF Through Cooperative Action of Open Metal Sites. (9th May 2019)

• Record Type: Journal Article
• Authors: Zeng, Heng; Xie, Mo; Huang, Yong‐Liang; Zhao, Yifang; Xie, Xiao‐Jing; Bai, Jian‐Ping; Wan, Meng‐Yan; Krishna, Rajamani; Lu, Weigang; Li, Dan
• Is Part Of: Angewandte Chemie. Volume 131:Number 25(2019)
• Page Start: 8603
• Page End: 8607
• Publication Date: 2019-05-09
• Subjects: Bindungsaffinität -- Gastrennung -- Induced Fit -- Kooperative Effekte -- Poröse Materialien; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201904160
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: Porous materials that can undergo pore‐structure adjustment to better accommodate specific molecules are ideal for separation and purification. Here, we report a stable microporous metal‐organic framework, JNU‐1, featuring one‐dimensional diamond‐shaped channels with a high density of open metal sites arranged on the surface for the cooperative binding of acetylene. Together with its framework flexibility and appropriate pore geometry, JNU‐1 exhibits an induced‐fit behavior for acetylene. The specific binding sites and continuous framework adaptation upon increased acetylene pressure are validated by molecular modeling and in situ X‐ray diffraction study. This unique induced‐fit behavior endows JNU‐1 with an unprecedented increase in the acetylene binding affinity (adsorption enthalpy: up to 47.6 kJ mol −1 at ca. 2.0 mmol g −1 loading). Abstract : Maßgeschneiderte Poren : Ein flexibles mikroporöses metall‐organisches Gerüst (MOF), JNU‐1, zeigt Induced‐Fit‐Verhalten für Acetylen. Dies sorgt für eine Erhöhung der Acetylen‐Bindungsaffinität (Adsorptionsenthalpie: bis zu 47.6 kJ mol −1 bei ca. 2.0 mmol g −1 Beladung), was eine hohe Selektivität gegenüber Acetylen in Gemischen mit anderen Gasmolekülen, einschließlich CO2, ermöglicht.