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231225s2021 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.1c02009
|2 doi
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|a DE-627
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|a eng
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|a Forrest, Katherine A
|e verfasserin
|4 aut
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|a Tuning the Selectivity between C2H2 and CO2 in Molecular Porous Materials
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|c 2021
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 30.11.2021
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a A combined experimental and theoretical study of C2H2 and CO2 adsorption and separation was performed in two isostructural molecular porous materials (MPMs): MPM-1-Cl ([Cu2(adenine)4Cl2]Cl2) and MPM-1-TIFSIX ([Cu2(adenine)4(TiF6)2]). It was revealed that MPM-1-Cl displayed higher low-pressure uptake, isosteric heat of adsorption (Qst), and selectivity for C2H2 than CO2, whereas the opposite was observed for MPM-1-TIFSIX. While MPM-1-Cl contains only one type of accessible channel, which has a greater preference toward C2H2, MPM-1-TIFSIX contains three distinct accessible channels, one of which is a confined region between two large channels that represents the primary binding site for both adsorbates. According to molecular simulations, the initial adsorption site in MPM-1-TIFSIX interacts more strongly with CO2 than C2H2, thus explaining the inversion of adsorbate selectivity relative to MPM-1-Cl
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|a Journal Article
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|a Pham, Tony
|e verfasserin
|4 aut
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|a Chen, Kai-Jie
|e verfasserin
|4 aut
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| 700 |
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|a Jiang, Xue
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Madden, David G
|e verfasserin
|4 aut
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| 700 |
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|a Franz, Douglas M
|e verfasserin
|4 aut
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|a Hogan, Adam
|e verfasserin
|4 aut
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|a Zaworotko, Michael J
|e verfasserin
|4 aut
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|a Space, Brian
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 37(2021), 47 vom: 30. Nov., Seite 13838-13845
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
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|g volume:37
|g year:2021
|g number:47
|g day:30
|g month:11
|g pages:13838-13845
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|u http://dx.doi.org/10.1021/acs.langmuir.1c02009
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