NDLI: A Cationic MOF with High Uptake and Selectivity for $CO_{2}$ due to Multiple $CO_{2}-Philic$ Sites

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A Cationic MOF with High Uptake and Selectivity for $CO_{2}$ due to Multiple $CO_{2}-Philic$ Sites

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Shi, Wen-juan Wang, Yao-yu Wang, Hai-hua Hou, Lei Zhu, Zhonghua Li, Gao-peng
Description	Author Affiliation: Wang HH ( Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Materials Science, Northwest University, Xi'an 710069 (P. R. China).); Shi WJ ( Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Materials Science, Northwest University, Xi'an 710069 (P. R. China).); Hou L ( Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Materials Science, Northwest University, Xi'an 710069 (P. R. China). lhou2009@nwu.edu.cn.); Li GP ( Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Materials Science, Northwest University, Xi'an 710069 (P. R. China).); Zhu Z ( School of Chemical Engineering, The University of Queensland, Brisbane 4072 (Australia).); Wang YY ( Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry & Materials Science, Northwest University, Xi'an 710069 (P. R. China).)
Abstract	The reaction of N-rich pyrazinyl triazolyl carboxyl ligand 3-(4-carboxylbenzene)-5-(2-pyrazinyl)-1H-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.
ISSN	09476539
e-ISSN	15213765
Journal	Chemistry - A European Journal
Issue Number	46
Volume Number	21
Language	English
Publisher	Wiley-VCH;ChemPubSoc Europe
Publisher Date	2015-11-09
Publisher Place	Germany
Access Restriction	Open
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Catalysis

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