Tetrazole‐Functionalized Zirconium Metal‐Organic Cages for Efficient C2H2/C2H4 and C2H2/CO2 Separations

Isoreticular functionalization is a well‐elucidated strategy for pore environment tuning and the basis of gas separation performance in extended frameworks. The extension of this approach to discrete porous molecules such as metal‐organic cages (MOCs) is conceptually straightforward but hindered by...

Full description

Saved in:
Bibliographic Details
Published inAngewandte Chemie International Edition Vol. 60; no. 32; pp. 17338 - 17343
Main Authors Fan, Weidong, Peh, Shing Bo, Zhang, Zhaoqiang, Yuan, Hongye, Yang, Ziqi, Wang, Yuxiang, Chai, Kungang, Sun, Daofeng, Zhao, Dan
Format Journal Article
LanguageEnglish
Published Germany Wiley Subscription Services, Inc 02.08.2021
EditionInternational ed. in English
Subjects
Cages
Carbon dioxide
Complications
Density functional theory
DFT calculations
Gas separation
isoreticular chemistry
metal-organic cages
Porous materials
Synthesis
tetrazole functionalization
Tetrazoles
Zirconium
DFT calculation
metal-organic cages
gas separation
isoreticular chemistry
tetrazolium functionalization
Online AccessGet full text

Cover

More Information
Summary:Isoreticular functionalization is a well‐elucidated strategy for pore environment tuning and the basis of gas separation performance in extended frameworks. The extension of this approach to discrete porous molecules such as metal‐organic cages (MOCs) is conceptually straightforward but hindered by synthetic complications, especially stability concerns. We report the successful isoreticular functionalization of a zirconium MOC with tetrazole moiety by bottom‐up synthesis. The title compound (ZrT‐1‐tetrazol) shows promising C2H2/CO2 and C2H2/C2H4 separation performance, as demonstrated by adsorption isotherms, breakthrough experiments, and density functional theory calculations. The design analogy between MOFs and highly stable MOCs may guide the synthesis of novel porous materials for challenging separation applications. We report the use of isoreticular chemistry to synthesize a tetrazole‐functionalized metal‐organic cage (ZrT‐1‐tetrazol) with the same structure of ZrT‐1 and ZrT‐1‐NH2. The adsorption capacity of ZrT‐1‐tetrazol for C2H2 increases by 130 % (298 K) compared with ZrT‐1‐NH2, and it exhibits promising C2H2/CO2 and C2H2/C2H4 separation performance.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.202102585