Bioinspired Metal-Organic Framework for Trace CO2 Capture

Caitlin E. Bien, Kai K. Chen, Szu Chia Chien, Benjamin R. Reiner, Li Chiang Lin, Casey R. Wade, W. S.Winston Ho

Research output: Contribution to journalArticlepeer-review

97 Scopus citations


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.

Original languageEnglish
Pages (from-to)12662-12666
Number of pages5
JournalJournal of the American Chemical Society
Issue number40
StatePublished - 10 Oct 2018


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