Construction of Isostructural Hydrogen-bonded Organic Frame-works: Limitations and Possibilities of Pore Expansion
Yuto Suzuki,a Mario Gutiérrez,b Senri Tanaka,c Eduardo Gomez,b Norimitsu Tohnai,d Nobuhiro Yasuda,e Nobuyuki Matubayasi, c* Abderrazzak Douhal,b* Ichiro Hisakia*
Library of isostructural porous frameworks enables systematic survey to optimize the structure and functionality of porous materials. Contrary to metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), a handful of isostructural frameworks has been reported for hydrogen-bonded organic frameworks (HOFs) due to weakness of the bonds. Herein, we provide rule-of-thumb to develop isostructural HOFs, where we demonstrate the construction of the third and fourth 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 vaper detection are presented. Moreover, TolHAT-1, ThiaHAT-1, and other isostructural HOFs (CPHAT-1 and CBPHAT-1) were thoroughly compared from viewpoints of structures and properties. Importantly, molecular dynamics (MD) simulation proves to be rationally capable of evaluating the stability of the isostructural HOFs. These results can accelerate development of various isostructural molecular porous materials.
- Division of Chemistry, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan.
- Departamento de Química Física, Facultad de Ciencias Ambientales y Bioquímica, INAMOL, Universidad de Castilla-La Mancha, Avenida Carlos III, S/N, 45071 Toledo, Spain.
- Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan.
- Division of Applined Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-7891, Japan.
- JASRI, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan.