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Title
Japanese:Triple Isomerism in 3D Covalent Organic Frameworks 
English:Triple Isomerism in 3D Covalent Organic Frameworks 
Author
Japanese: Xiaohan Wang, Yuki Wada, Terumasa Shimada, Atsuko Kosaka, Kiyohiro Adachi, Daisuke Hashizume, Koji Yazawa, Hidehiro Uekusa, Yoshiaki Shoji, Takanori Fukushima, Masaki Kawano, Yoichi Murakami.  
English: Xiaohan Wang, Yuki Wada, Terumasa Shimada, Atsuko Kosaka, Kiyohiro Adachi, Daisuke Hashizume, Koji Yazawa, Hidehiro Uekusa, Yoshiaki Shoji, Takanori Fukushima, Masaki Kawano, Yoichi Murakami.  
Language English 
Journal/Book name
Japanese:Journal of the American Chemical Society 
English:Journal of the American Chemical Society 
Volume, Number, Page Vol. 146    No. 3    pp. 1832-1838
Published date Jan. 11, 2024 
Publisher
Japanese:American Chemical Society 
English:American Chemical Society 
Conference name
Japanese: 
English: 
Conference site
Japanese: 
English: 
DOI https://doi.org/10.1021/jacs.3c13863
Abstract Isomerism in covalent organic frameworks (COFs) has scarcely been known. Here, for the first time we show 3D COFs with three framework isomers or polymorphs constructed from the same building blocks. All isomers were obtained as large (>10ﾎｼm) crystals; although their crystal shapes were distinctly different, they showed identical FT-IR and solid-state NMR spectra. Our structural analyses revealed unprecedented triple isomerism in 3D COFs (noninterpenetrated dia, qtz, and 3-fold interpenetrated dia-c3 nets). Furthermore, this Communication reports the first known COF with qtz topol. for which the structure determination was based on Rietveld anal. We achieved triple framework isomerism by reticulating a tetrahedral building block with a flexible junction and a linear building block with PEO side chains and by varying solution compositions Our energy calculations, along with the discovery of interisomer transition, revealed that the isomer with qtz topol. was a kinetic isomer. Thus, this simple yet little-explored concept of reticulating only flexible building blocks is an effective pathway to significantly broaden the diversity of 3D COFs, which have been proposed for a myriad of applications.

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