Issue 28, 2021

Construction of isostructural hydrogen-bonded organic frameworks: limitations and possibilities of pore expansion

Abstract

The library of isostructural porous frameworks enables a systematic survey to optimize the structure and functionality of porous materials. In contrary to metal–organic frameworks (MOFs) and covalent organic frameworks (COFs), a handful of isostructural frameworks have been reported for hydrogen-bonded organic frameworks (HOFs) due to the weakness of the bonds. Herein, we provide a rule-of-thumb to develop isostructural HOFs, where we demonstrate the construction of the third and fourth generation of isostructural HAT-based HOFs (TolHAT-1 and ThiaHAT-1) by considering three important structural factors, that are (1) directional H-bonding, (2) shape-fitted docking of the HAT core, and (3) modulation of peripheral moieties. Their structural and photo-physical properties including HCl vapor detection are presented. Moreover, TolHAT-1, ThiaHAT-1, and other isostructural HOFs (CPHAT-1 and CBPHAT-1) were thoroughly compared from the viewpoints of structures and properties. Importantly, molecular dynamics (MD) simulation proves to be rationally capable of evaluating the stability of isostructural HOFs. These results can accelerate the development of various isostructural molecular porous materials.

Graphical abstract: Construction of isostructural hydrogen-bonded organic frameworks: limitations and possibilities of pore expansion

Associated articles

Supplementary files

Article information

Article type
Edge Article
Submitted
17 5 2021
Accepted
18 6 2021
First published
23 6 2021
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY-NC license

Chem. Sci., 2021,12, 9607-9618

Construction of isostructural hydrogen-bonded organic frameworks: limitations and possibilities of pore expansion

Y. Suzuki, M. Gutiérrez, S. Tanaka, E. Gomez, N. Tohnai, N. Yasuda, N. Matubayasi, A. Douhal and I. Hisaki, Chem. Sci., 2021, 12, 9607 DOI: 10.1039/D1SC02690A

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