Supramolecular Assembly of <i>p</i>-Sulfonatothiacalix[6]arene Yttrium Complex Supported by Hydrogen Bonding, π–π Stacking, and S–π Interactions

  • YAMADA Manabu
    Center for Geo-Environmental Science (CGES), Graduate School of Engineering and Resource Science, Akita University
  • HAMADA Fumio
    Department of Applied Chemistry for Environments, Graduate School of Engineering and Resource Science, Akita University

Abstract

Crystals of a yttrium complex composed from deprotonated p-sulfonatothiacalix[6]arene, [{Y(H2O)83+}2{p-sulfonatothiacalix[6]arene6–}]・16H2O (I), were studied by single-crystal X-ray diffraction analysis. In the present crystal system of I, the thiacalixarene molecule maintains an 'up-down' double partial-cone conformation possessing two pseudo-thiacalix[3]arene cavities, which act as a 'molecular container' towards guest water molecules. Interestingly, the aquated yttrium center does not directly coordinate to the thiacalixarene sulfonate groups. In contrast, the aquated yttrium cations act as a connector to the thiacalixarene molecules to establish a one-dimensional hydrogen-bonded polymer by hydrogen bonding between the thiacalixarene molecules and the yttrium cations. The extended structure of the complex forms a supramolecular assembly via mutually supporting intermolecular π−π stacking, S−π interactions, and hydrogen bonding between two differently oriented polymers.

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