A Cationic MOF with High Uptake and Selectivity for CO2 due to Multiple CO2-Philic Sites

Wang, Hai-Hua, Shi, Wen-Juan, Hou, Lei, Li, Gao-Peng, Zhu, Zhonghua and Wang, Yao- Yu (2015) A Cationic MOF with High Uptake and Selectivity for CO2 due to Multiple CO2-Philic Sites. Chemistry - A European Journal, 21 46: 16525-16531. doi:10.1002/chem.201502532


Author Wang, Hai-Hua
Shi, Wen-Juan
Hou, Lei
Li, Gao-Peng
Zhu, Zhonghua
Wang, Yao- Yu
Title A Cationic MOF with High Uptake and Selectivity for CO2 due to Multiple CO2-Philic Sites
Journal name Chemistry - A European Journal   Check publisher's open access policy
ISSN 1521-3765
0947-6539
Publication date 2015-11-09
Year available 2015
Sub-type Article (original research)
DOI 10.1002/chem.201502532
Open Access Status Not yet assessed
Volume 21
Issue 46
Start page 16525
End page 16531
Total pages 7
Place of publication Weinheim, Germany
Publisher Wiley - V C H Verlag GmbH & Co
Collection year 2016
Language eng
Formatted abstract
The reaction of N-rich pyrazinyl triazolyl carboxyl ligand 3-(4-carboxylbenzene)-5-(2-pyrazinyl)-1H-1,2,4-triazole (H2cbptz) with MnCl2 afforded 3D cationic metal–organic framework (MOF) [Mn2(Hcbptz)2(Cl)(H2O)]Cl⋅DMF⋅0.5 CH3CN (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 CO2 uptake, but also remarkably selective adsorption of CO2 over N2 and CH4 at 298–333 K. The multiple CO2-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 CO2 capture, natural-gas upgrading, and landfill gas-purification processes.
Keyword carbon dioxide capture
manganese
metal-organic frameworks
microporous materials
N,O ligands
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2016 Collection
 
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