Docking Strategy To Construct Thermostable, Single-Crystalline, Hydrogen-Bonded Organic Framework with High Surface Area
Corresponding Author
Dr. Ichiro Hisaki
Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 Japan
Search for more papers by this authorYuto Suzuki
Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 Japan
Search for more papers by this authorEduardo Gomez
Departamento de Quimica Fisica, Facultad de Ciencias Ambientales y Bioquimica, and INAMOL, Universidad de Castilla-La Mancha, Avenida Carlos III, S/N, 45071 Toledo, Spain
Search for more papers by this authorDr. Boiko Cohen
Departamento de Quimica Fisica, Facultad de Ciencias Ambientales y Bioquimica, and INAMOL, Universidad de Castilla-La Mancha, Avenida Carlos III, S/N, 45071 Toledo, Spain
Search for more papers by this authorDr. Norimitsu Tohnai
Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 Japan
Search for more papers by this authorCorresponding Author
Prof. Dr. Abderrazzak Douhal
Departamento de Quimica Fisica, Facultad de Ciencias Ambientales y Bioquimica, and INAMOL, Universidad de Castilla-La Mancha, Avenida Carlos III, S/N, 45071 Toledo, Spain
Search for more papers by this authorCorresponding Author
Dr. Ichiro Hisaki
Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 Japan
Search for more papers by this authorYuto Suzuki
Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 Japan
Search for more papers by this authorEduardo Gomez
Departamento de Quimica Fisica, Facultad de Ciencias Ambientales y Bioquimica, and INAMOL, Universidad de Castilla-La Mancha, Avenida Carlos III, S/N, 45071 Toledo, Spain
Search for more papers by this authorDr. Boiko Cohen
Departamento de Quimica Fisica, Facultad de Ciencias Ambientales y Bioquimica, and INAMOL, Universidad de Castilla-La Mancha, Avenida Carlos III, S/N, 45071 Toledo, Spain
Search for more papers by this authorDr. Norimitsu Tohnai
Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, 565-0871 Japan
Search for more papers by this authorCorresponding Author
Prof. Dr. Abderrazzak Douhal
Departamento de Quimica Fisica, Facultad de Ciencias Ambientales y Bioquimica, and INAMOL, Universidad de Castilla-La Mancha, Avenida Carlos III, S/N, 45071 Toledo, Spain
Search for more papers by this authorGraphical Abstract
More than one HAT: Hexaazatriphenylene (HAT) derivatives are suitable building blocks for the systematic construction of stable hydrogen-bonded frameworks. The derivative with carboxybiphenyl groups forms a stable single-crystalline porous framework (CBPHAT-1 a) that displays protic solvent durability, heat resistance up to 305 °C, and SA(BET) of 1288 m2 g−1.
Abstract
Enhancing thermal and chemical durability and increasing surface area are two main directions for the construction and improvement of the performance of porous hydrogen-bonded organic frameworks (HOFs). Herein, a hexaazatriphenylene (HAT) derivative that possesses six carboxyaryl groups serves as a suitable building block for the systematic construction of thermally and chemically durable HOFs with high surface area through shape-fitted docking between the HAT cores and interpenetrated three-dimensional network. A HAT derivative with carboxybiphenyl groups forms a stable single-crystalline porous HOF that displays protic solvent durability, even in concentrated HCl, heat resistance up to 305 °C, and a high Brunauer–Emmett–Teller surface area [SA(BET)] of 1288 m2 g−1. A single crystal of this HOF displays anisotropic fluorescence, which suggests that it would be applicable to polarized emitters based on robust functional porous materials.
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, Z=2, 29 812 collected, 7251 unique (Rint=0.097) reflections, the final R1 and wR2 values 0.130 (I>2.0σ(I)) and 0.385 (all data), respectively. Crystal data for CBPHAT-1 a: C90H54N6O12, Fw=1411.45, a=b=29.7810(10) Å, c=7.1709(3) Å, α=β=90°, γ=120°, V=5507.9(3) Å3, T=93 K, trigonal, space group 
, Z=2, 16474 collected, 7205 unique (Rint=0.075) reflections, the final R1 and wR2 values 0.078 (I>2.0σ(I)) and 0.241 (all data). CCDC 1841012 and 1841011 ([CBPHAT-1(TCB)] and CBPHAT-1 a) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre.
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