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

doi:10.1021/jacs.8b06109

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

Department of Chemical and Materials Engineering

Research output: Contribution to journal › Article › peer-review

147 Scopus citations

Abstract

A Zn benzotriazolate metal-organic framework (MOF), [Zn(ZnO₂CCH₃)₄(bibta)₃] (1, bibta^2- = 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 language	English
Pages (from-to)	12662-12666
Number of pages	5
Journal	Journal of the American Chemical Society
Volume	140
Issue number	40
DOIs	https://doi.org/10.1021/jacs.8b06109
State	Published - 10 Oct 2018

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title = "Bioinspired Metal-Organic Framework for Trace CO2 Capture",

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.",

author = "Bien, {Caitlin E.} and Chen, {Kai K.} and Chien, {Szu Chia} and Reiner, {Benjamin R.} and Lin, {Li Chiang} and Wade, {Casey R.} and Ho, {W. S.Winston}",

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T1 - Bioinspired Metal-Organic Framework for Trace CO2 Capture

AU - Bien, Caitlin E.

AU - Chen, Kai K.

AU - Chien, Szu Chia

AU - Reiner, Benjamin R.

AU - Lin, Li Chiang

AU - Wade, Casey R.

AU - Ho, W. S.Winston

PY - 2018/10/10

Y1 - 2018/10/10

N2 - 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.

AB - 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.

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JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

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ER -

Bioinspired Metal-Organic Framework for Trace CO2 Capture

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Bioinspired Metal-Organic Framework for Trace CO₂ Capture