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Title: Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning

Abstract

Ligands with flexible conformations add to the structural diversity of metal–organic frameworks but, at the same time, pose a challenge to structural design and prediction. Representative examples include Zr-tetracarboxylate-based MOFs, which afford assorted structures for a wide range of applications, but also complicate the structural control. Herein, we systematically studied the formation mechanism of a series of (4,8)-connected Zr-tetracarboxylate-based MOFs by altering the substituents on different positions of the organic linkers. Different ligand rotamers give rise to three types of structures with flu, scu, and csq topologies. A combination of experiment and molecular simulation indicate that the steric hindrance of the substituents at different positions dictates the resulting MOF structures. Additionally, the controllable formation of different structures was successfully implemented by a combination of linkers with different steric effects at specific positions.

Authors:
 [1];  [2];  [2];  [3];  [2];  [3]; ORCiD logo [3]; ORCiD logo [2];  [3]
  1. Chinese Academy of Sciences (CAS), Beijing (China). State Key Lab. of Structure Chemistry, Fujian Inst. of Research on the Structure of Matter; Texas A & M Univ., College Station, TX (United States). Dept of Chemistry
  2. Texas A & M Univ., College Station, TX (United States). Dept of Chemistry
  3. Chinese Academy of Sciences (CAS), Beijing (China). State Key Lab. of Structure Chemistry, Fujian Inst. of Research on the Structure of Matter
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1470030
Grant/Contract Number:  
[SC0001015]
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
[ Journal Volume: 139; Journal Issue: 46; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University]; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; membrane; carbon capture; materials and chemistry by design; synthesis (novel materials); synthesis (self-assembly); synthesis (scalable processing)

Citation Formats

Pang, Jiandong, Yuan, Shuai, Qin, Junsheng, Liu, Caiping, Lollar, Christina, Wu, Mingyan, Yuan, Daqiang, Zhou, Hong-Cai, and Hong, Maochun. Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning. United States: N. p., 2017. Web. doi:10.1021/jacs.7b09973.
Pang, Jiandong, Yuan, Shuai, Qin, Junsheng, Liu, Caiping, Lollar, Christina, Wu, Mingyan, Yuan, Daqiang, Zhou, Hong-Cai, & Hong, Maochun. Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning. United States. doi:10.1021/jacs.7b09973.
Pang, Jiandong, Yuan, Shuai, Qin, Junsheng, Liu, Caiping, Lollar, Christina, Wu, Mingyan, Yuan, Daqiang, Zhou, Hong-Cai, and Hong, Maochun. Tue . "Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning". United States. doi:10.1021/jacs.7b09973. https://www.osti.gov/servlets/purl/1470030.
@article{osti_1470030,
title = {Control the Structure of Zr-Tetracarboxylate Frameworks through Steric Tuning},
author = {Pang, Jiandong and Yuan, Shuai and Qin, Junsheng and Liu, Caiping and Lollar, Christina and Wu, Mingyan and Yuan, Daqiang and Zhou, Hong-Cai and Hong, Maochun},
abstractNote = {Ligands with flexible conformations add to the structural diversity of metal–organic frameworks but, at the same time, pose a challenge to structural design and prediction. Representative examples include Zr-tetracarboxylate-based MOFs, which afford assorted structures for a wide range of applications, but also complicate the structural control. Herein, we systematically studied the formation mechanism of a series of (4,8)-connected Zr-tetracarboxylate-based MOFs by altering the substituents on different positions of the organic linkers. Different ligand rotamers give rise to three types of structures with flu, scu, and csq topologies. A combination of experiment and molecular simulation indicate that the steric hindrance of the substituents at different positions dictates the resulting MOF structures. Additionally, the controllable formation of different structures was successfully implemented by a combination of linkers with different steric effects at specific positions.},
doi = {10.1021/jacs.7b09973},
journal = {Journal of the American Chemical Society},
number = [46],
volume = [139],
place = {United States},
year = {2017},
month = {11}
}

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