TY - JOUR
T1 - Efficient Splitting of Trans-/Cis-Olefins Using an Anion-Pillared Ultramicroporous Metal–Organic Framework with Guest-Adaptive Pore Channels
AU - Zhang, Zhaoqiang
AU - Cui, Xili
AU - Jiang, Xiaoming
AU - Ding, Qi
AU - Cui, Jiyu
AU - Zhang, Yuanbin
AU - Belmabkhout, Youssef
AU - Adil, Karim
AU - Eddaoudi, Mohamed
AU - Xing, Huabin
N1 - KAUST Repository Item: Exported on 2022-04-21
Acknowledgements: Supported by the Zhejiang Provincial Natural Science Foundation of China (LZ18B060001), and the National Natural Science Foundation of China (21725603, 21476192, and U1862110)
PY - 2021/12/8
Y1 - 2021/12/8
N2 - Trans-/cis-olefin isomers play a vital role in the petrochemical industry. The paucity of energy-efficient technologies for their splitting is mainly due to the similarities of their physicochemical properties. Herein, two new tailor-made anion-pillared ultramicroporous metal–organic frameworks (MOFs), ZU-36-Ni and ZU-36-Fe (GeFSIX-3-Ni and GeFSIX-3-Fe) are reported for the first time for the efficient trans-/cis-2-butene (trans-/cis-C4H8) mixture splitting by enhanced molecular exclusion. Notably, ZU-36-Ni unexpectedly exhibited smart guest-adaptive pore channels for trapping trans-C4H8 with a remarkable adsorption capacity (2.45 mmol∙g−1) while effectively rejecting cis-C4H8 with a high purity of 99.99%. The dispersion-corrected density functional theory (DFT-D) calculation suggested that the guest-adaptive behavior of ZU-36-Ni in response to trans-C4H8 is derived from the organic linker rotation and the optimal pore dimensions, which not only improve the favorable adsorption/diffusion of trans-C4H8 with optimal host–guest interactions, but also enhance the size-exclusion of cis-C4H8. This work opens a new avenue for pore engineering in advanced smart or adaptive porous materials for specific applications involving guest molecular recognition.
AB - Trans-/cis-olefin isomers play a vital role in the petrochemical industry. The paucity of energy-efficient technologies for their splitting is mainly due to the similarities of their physicochemical properties. Herein, two new tailor-made anion-pillared ultramicroporous metal–organic frameworks (MOFs), ZU-36-Ni and ZU-36-Fe (GeFSIX-3-Ni and GeFSIX-3-Fe) are reported for the first time for the efficient trans-/cis-2-butene (trans-/cis-C4H8) mixture splitting by enhanced molecular exclusion. Notably, ZU-36-Ni unexpectedly exhibited smart guest-adaptive pore channels for trapping trans-C4H8 with a remarkable adsorption capacity (2.45 mmol∙g−1) while effectively rejecting cis-C4H8 with a high purity of 99.99%. The dispersion-corrected density functional theory (DFT-D) calculation suggested that the guest-adaptive behavior of ZU-36-Ni in response to trans-C4H8 is derived from the organic linker rotation and the optimal pore dimensions, which not only improve the favorable adsorption/diffusion of trans-C4H8 with optimal host–guest interactions, but also enhance the size-exclusion of cis-C4H8. This work opens a new avenue for pore engineering in advanced smart or adaptive porous materials for specific applications involving guest molecular recognition.
UR - http://hdl.handle.net/10754/676345
UR - https://linkinghub.elsevier.com/retrieve/pii/S209580992100518X
UR - http://www.scopus.com/inward/record.url?scp=85126552781&partnerID=8YFLogxK
U2 - 10.1016/j.eng.2021.10.013
DO - 10.1016/j.eng.2021.10.013
M3 - Article
SN - 2095-8099
JO - Engineering
JF - Engineering
ER -