Breathing Assisted Selective Adsorption of C8 Alkyl Aromatics in Zn‐based Metal‐Organic Frameworks

Author(s):  
Jihyun Lee ◽  
Younghun Kim ◽  
Younghu Son ◽  
Hyehyun Kim ◽  
Yong Nam Choi ◽  
...  
CrystEngComm ◽  
2017 ◽  
Vol 19 (36) ◽  
pp. 5346-5350 ◽  
Author(s):  
Jinjie Qian ◽  
Jinni Shen ◽  
Qipeng Li ◽  
Yue Hu ◽  
Shaoming Huang

The theoretically optimal adsorption locations in hydroxyl (OH)-decorated metal–organic frameworks show that the captured CO2 molecules interact with the cis-μ2-OH groups in an end-on mode, which shows a moderate to weak hydrogen bond.


Author(s):  
Jihyun Lee ◽  
Younghoon Kim ◽  
Younghu Son ◽  
Hyehyun Kim ◽  
Yong Nam Choi ◽  
...  

2019 ◽  
Vol 271 ◽  
pp. 303-308 ◽  
Author(s):  
Jie Zhang ◽  
Lingling Gao ◽  
Yang Wang ◽  
Lijun Zhai ◽  
Xiaoqing Wang ◽  
...  

2020 ◽  
Vol 22 (11) ◽  
pp. 6441-6448 ◽  
Author(s):  
Jongwoo Park ◽  
Mayank Agrawal ◽  
Dorina F. Sava Gallis ◽  
Jacob A. Harvey ◽  
Jeffery A. Greathouse ◽  
...  

We assess the nontrivial deviation in predicting the adsorption selectivity from bulk mixtures of complex molecules using nanoporous adsorbents approximated as rigid and intrinsically flexible.


CrystEngComm ◽  
2017 ◽  
Vol 19 (11) ◽  
pp. 1564-1570 ◽  
Author(s):  
Yuan-Feng Hui ◽  
Chun-Li Kang ◽  
Tao Tian ◽  
Song Dang ◽  
Jing Ai ◽  
...  

2015 ◽  
Vol 51 (73) ◽  
pp. 13918-13921 ◽  
Author(s):  
S. A. Sapchenko ◽  
D. N. Dybtsev ◽  
D. G. Samsonenko ◽  
R. V. Belosludov ◽  
V. R. Belosludov ◽  
...  

Urotropine-based porous coordination polymers with free N-donors demonstrate selective adsorption towards acidic gas substrates (C2H2 or CO2) as confirmed by isotherm measurements and ab initio DFT calculations.


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