A new porous MOF with two uncommon metal-carboxylate-pyrazolate clusters and high CO2/N2 selectivity

Wang, Hai-Hua, Jia, Li-Na, Hou, Lei, Shi, Wen-juan, Zhu, Zhonghua and Wang, Yao-Yu (2015) A new porous MOF with two uncommon metal-carboxylate-pyrazolate clusters and high CO2/N2 selectivity. Inorganic Chemistry, 54 4: 1841-1846. doi:10.1021/ic502733v


Author Wang, Hai-Hua
Jia, Li-Na
Hou, Lei
Shi, Wen-juan
Zhu, Zhonghua
Wang, Yao-Yu
Title A new porous MOF with two uncommon metal-carboxylate-pyrazolate clusters and high CO2/N2 selectivity
Journal name Inorganic Chemistry   Check publisher's open access policy
ISSN 1520-510X
0020-1669
Publication date 2015-01-30
Year available 2015
Sub-type Article (original research)
DOI 10.1021/ic502733v
Open Access Status
Volume 54
Issue 4
Start page 1841
End page 1846
Total pages 6
Place of publication Washington, United States
Publisher American Chemical Society
Formatted abstract
By a less-exploited strategy, a stable framework was constructed by using 4,4′-biphenyldicarboxylic acid (H2bpdc) and methyl-functionalized 3,3′,5,5′-tetramethyl-4,4′-bipyrazole (H2bpz) coligands, revealing a new (6,8)-connected net based on two extremely rare trinuclear and tetranuclear metal–carboxylate–pyrazolate clusters. The framework is very porous and possesses not only high CO2 loadings but also very high CO2/N2 selectivities at 308 and 313 K because of the polar pore surface decorated by clusters, pyrazolyl units, and confined cages with methyl groups dangling. Importantly, GCMC simulation identified two favorable CO2 sorption sites located sequentially near Co3(pz)3 and Co3(CO2)2(pz) motifs of the tetranuclear cluster, and the multipoint framework–CO2 interactions were distinguished. The framework also displays remarkable stability toward water and organic solvents.
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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