| Literature DB >> 30256632 |
Caitlin E Bien1, Kai K Chen2, Szu-Chia Chien3, Benjamin R Reiner1, Li-Chiang Lin2, Casey R Wade1, W S Winston Ho2,3.
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.Entities:
Mesh：
Substances：
Year: 2018 PMID： 30256632 DOI： 10.1021/jacs.8b06109
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419