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Porous MOF with Highly Efficient Selectivity and Chemical Conversion for CO2

Author:
Wang, Hai-Hua, Hou, Lei, Li, Yong-Zhi, Jiang, Chen-Yu, Wang, Yao-Yu, Zhu, Zhonghua
Source:
ACS Applied Materials & Interfaces 2017 v.9 no.21 pp. 17969-17976
ISSN:
1944-8252
Subject:
Monte Carlo method, adsorption, aqueous solutions, carbon dioxide, carbon monoxide, carbonates, catalysts, cobalt, epoxides, ligands, methane, temperature
Abstract:
A new Co(II)-based MOF, {[Co₂(tzpa)(OH)(H₂O)₂]·DMF}ₙ (1) (H₃tzpa = 5-(4-(tetrazol-5-yl)phenyl)isophthalic acid), was constructed by employing a tetrazolyl-carboxyl ligand H₃tzpa. 1 possesses 1D tubular channels that are decorated by μ₃–OH groups, uncoordinated carboxylate O atoms, and open metal centers generated by the removal of coordinated water molecules, leading to high CO₂ adsorption capacity and significantly selective capture for CO₂ over CH₄ and CO in the temperature range of 298–333 K. Moreover, 1 shows the chemical stability in acidic and basic aqueous solutions. Grand canonical Monte Carlo simulations identified multiple CO₂-philic sites in 1. In addition, the activated 1 as the heterogeneous Lewis and Brønsted acid bifunctional catalyst facilitates the chemical fixation of CO₂ coupling with epoxides into cyclic carbonates under ambient conditions.
Agid:
5694759