Cucurbituril-Shaped Cd18(triazolate)12 Unit-Based Metal-Organic Framework Exhibiting an C2H2/CO2 Separation Ability

Xing-Ping Fu; Xi-Ying Le; Yan-Hong Xiao; Dong-Mei Zeng; Ke-Ai Zhou; Lian Huang; Yu-Ling Wang; Qing-Yan Liu

doi:10.1021/acs.inorgchem.3c01875

Cucurbituril-Shaped Cd₁₈(triazolate)₁₂ Unit-Based Metal-Organic Framework Exhibiting an C₂H₂/CO₂ Separation Ability

Inorg Chem. 2023 Sep 18;62(37):15031-15038. doi: 10.1021/acs.inorgchem.3c01875. Epub 2023 Sep 4.

Authors

Xing-Ping Fu^{1

2}, Xi-Ying Le¹, Yan-Hong Xiao¹, Dong-Mei Zeng¹, Ke-Ai Zhou¹, Lian Huang¹, Yu-Ling Wang¹, Qing-Yan Liu^{1

2}

Affiliations

¹ College of Chemistry and Chemical Engineering, Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education, Jiangxi Normal University, Nanchang, Jiangxi 330022, P. R. China.
² Department of Ecological and Resources Engineering, Fujian Key Laboratory of Eco-industrial Green Technology, Wuyi University, Wuyishan, Fujian 354300, P. R. China.

PMID: 37661926
DOI: 10.1021/acs.inorgchem.3c01875

Abstract

Herein, a metal-organic framework (MOF), {[(Me₂NH₂)₄][Cd(H₂O)₆][Cd₁₈(TrZ)₁₂(TPD)₁₅(DMF)₆]}_n (denoted as JXNU-18, TrZ = triazolate), constructed from the unique cucurbituril-shaped Cd₁₈(TrZ)₁₂ secondary building units bridged by 2,5-thiophenedicarboxylic (TPD^2-) ligands, is presented. The formation of the cucurbituril-shaped Cd₁₈(TrZ)₁₂ unit is unprecedented, demonstrating the geometric compatibility of the organic linkers and the coordination configurations of the cadmium atoms. Each Cd₁₈(TrZ)₁₂ unit is connected to eight neighboring Cd₁₈(TrZ)₁₂ units through 30 TPD^2- linkers, affording the three-dimensional structure of JXNU-18. More interesting is that JXNU-18 displays an efficient C₂H₂/CO₂ separation ability, as revealed by the gas adsorption experiments and dynamic gas breakthrough experiments, which afford insights into the potential applications of JXNU-18 in gas separation. The tubular pores composed of two Cd₁₈(TrZ)₁₂ units bridged by six 2,5-thiophenedicarboxylic linkers provide the suitable pore space for C₂H₂ trapping, as unveiled by computational simulations.