Horiuchi Shinnosuke, Ogura Shota, Otsubo Kazuya, Ikemoto Yuka, Kiuchi Hisao, Shinozaki Yudai, Tsuyuki Hiromi, Watanabe Go, Takahashi Osamu, Hayashi Mikihiro, Sakuda Eri, Arikawa Yasuhiro, Umakoshi Keisuke, Harada Yoshihisa
Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Meguro-ku, Tokyo, Japan.
Division of Chemistry and Materials Science, Graduate School of Engineering, Nagasaki University, Nagasaki, Japan.
Nat Commun. 2025 Aug 29;16(1):7588. doi: 10.1038/s41467-025-62578-0.
Water at interfaces plays crucial roles in various natural phenomena and in the material sciences. Therefore, understanding the structure and hydrogen-bonding network at such interfaces is essential. Recent advances in porous crystalline materials, combined with single-crystal X-ray diffraction techniques, have enabled the visualization of molecular structures on pore surfaces at atomic resolution. Herein, we report the formation of a supramolecular porous crystal composed of a resorcin[4]arene and a rigid cationic coordination complex, stabilized by hydrogen bonds and noncovalent interactions. This specific arrangement creates a porous framework with anisotropic, information-rich surfaces, accommodating water molecules to form multi-layered water channels. The analysis reveals clustering motifs and hydrogen-bonding patterns in the water molecules at interfaces, supported by molecular dynamics simulations and spectroscopy studies. These findings advance our understanding of the structure-property relationship of water at interfaces in low-entropy crystalline materials, offering insights into their behavior on complex surfaces.
界面处的水在各种自然现象和材料科学中起着至关重要的作用。因此，了解此类界面处的结构和氢键网络至关重要。多孔晶体材料的最新进展与单晶X射线衍射技术相结合，使得能够在原子分辨率下可视化孔表面的分子结构。在此，我们报告了一种由间苯二酚[4]芳烃和刚性阳离子配位络合物组成的超分子多孔晶体的形成，该晶体通过氢键和非共价相互作用得以稳定。这种特定排列形成了一个具有各向异性、信息丰富表面的多孔框架，容纳水分子形成多层水通道。分析揭示了界面处水分子中的聚集基序和氢键模式，分子动力学模拟和光谱学研究支持了这一点。这些发现推进了我们对低熵晶体材料中界面水的结构-性质关系的理解，为其在复杂表面上的行为提供了见解。
