Endohedral Clusterization of Ten Water Molecules into a “Molecular Ice” within the Hydrophobic Pocket of a Self-Assembled Cage

• Published in: Journal of the American Chemical Society Vol. 127; no. 9; pp. 2798 - 2799
• Main Authors: Yoshizawa, Michito, Kusukawa, Takahiro, Kawano, Masaki, Ohhara, Takashi, Tanaka, Ichiro, Kurihara, Kazuo, Niimura, Nobuo, Fujita, Makoto
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 09.03.2005
• Subjects: Atomic and molecular clusters; Atomic and molecular physics; Clusters, nanoparticles, and nanocrystalline materials; Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals; Physics; Spectroscopy and geometrical structure of clusters; Structure of solids and liquids; crystallography; Studies of special atoms, molecules and their ions; clusters; Cationic complex; Molecular structure; Neutron diffraction; Nitrogen heterocycle; Palladium Complexes; Organic ligand; Hydrophobic interaction; Complex cluster; XRD; Experimental study; Geometrical structure; Transition elements Complexes; Aqua complex; Complexes Mixed; Polynuclear complex; Platinoid Complexes; Crystal structure
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja043953w

An adamantanoid (H2O)10 cluster is formed within the hydrophobic cavity of a self-assembled coordination cage. This cluster is termed “molecular ice” because it is the smallest unit of naturally occurring Ic-type ice. X-ray structural analysis, coupled with neutron diffraction study, reveals that the molecular ice is formed not by a simple space-filling effect but by efficient molecular recognition within the cage via H2O:···π interaction.