Bioinspired Metal-Organic Framework for Trace CO2 Capture
Journal
Journal of the American Chemical Society
Journal Volume
140
Journal Issue
40
Pages
12662-12666
Date Issued
2018
Author(s)
Abstract
A Zn benzotriazolate metal-organic framework (MOF), [Zn(ZnO2CCH3)4(bibta)3] (1, bibta2- = 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 α-carbonic anhydrase. The postsynthetically modified MOF, [Zn(ZnOH)4(bibta)3] (2?), exhibits excellent performance for trace CO2 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. Copyright ? 2018 American Chemical Society.
Subjects
Carbon dioxide
Carbonic anhydrase
Crystalline materials
Density functional theory
Hydrogen bonds
Organometallics
Trace elements
Alpha-carbonic anhydrase
Fixation mechanisms
Hydrogen bonding interactions
Ligand exchanges
Metal organic framework
Mild temperatures
Spectroscopic data
Thermal activation
Zinc compounds
benzotriazole
biomimetic material
carbon dioxide
carbonate dehydratase
metal organic framework
triazole derivative
zinc
chemistry
enzyme active site
hydrogen bond
isolation and purification
molecular model
synthesis
Biomimetic Materials
Carbon Dioxide
Carbonic Anhydrases
Catalytic Domain
Hydrogen Bonding
Metal-Organic Frameworks
Models, Molecular
Triazoles
Zinc
SDGs
Type
journal article