A Cationic MOF with High Uptake and Selectivity for CO2 due to Multiple CO2 -Philic Sites.
Chemistry
; 21(46): 16525-31, 2015 Nov 09.
Article
em En
| MEDLINE
| ID: mdl-26417961
ABSTRACT
The reaction of N-rich pyrazinyl triazolyl carboxyl ligand 3-(4-carboxylbenzene)-5-(2-pyrazinyl)-1H-1,2,4-triazole (H2 cbptz) with MnCl2 afforded 3D cationic metal-organic framework (MOF) [Mn2 (Hcbptz)2 (Cl)(H2 O)]Clâ
DMFâ
0.5 CH3 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 CO2 uptake, but also remarkably selective adsorption of CO2 over N2 and CH4 at 298-333â
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.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Chemistry
Assunto da revista:
QUIMICA
Ano de publicação:
2015
Tipo de documento:
Article