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A Cationic MOF with High Uptake and Selectivity for CO 2 due to Multiple CO 2 ‐Philic Sites
Author(s) -
Wang HaiHua,
Shi WenJuan,
Hou Lei,
Li GaoPeng,
Zhu Zhonghua,
Wang YaoYu
Publication year - 2015
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201502532
Subject(s) - cationic polymerization , metal organic framework , chemistry , ligand (biochemistry) , adsorption , selectivity , metal , inorganic chemistry , topology (electrical circuits) , organic chemistry , catalysis , biochemistry , receptor , mathematics , combinatorics
The reaction of N‐rich pyrazinyl triazolyl carboxyl ligand 3‐(4‐carboxylbenzene)‐5‐(2‐pyrazinyl)‐1 H ‐1,2,4‐triazole (H 2 cbptz) with MnCl 2 afforded 3D cationic metal–organic framework (MOF) [Mn 2 (Hcbptz) 2 (Cl)(H 2 O)]Cl ⋅ DMF ⋅ 0.5 CH 3 CN ( 1 ), which has an unusual (3,4)‐connected 3,4T1 topology and 1D channels composed of cavities. MOF 1 has a very polar framework that contains exposed metal sites, uncoordinated N atoms, narrow channels, and Cl − basic sites, which lead to not only high CO 2 uptake, but also remarkably selective adsorption of CO 2 over N 2 and CH 4 at 298–333 K. The multiple CO 2 ‐philic sites were identified by grand canonical Monte Carlo simulations. Moreover, 1 shows excellent stability in natural air environment. These advantages make 1 a very promising candidate in post‐combustion CO 2 capture, natural‐gas upgrading, and landfill gas‐purification processes.