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A Water Cluster Conduit in Crystal.

Fangfang Jian1, E Liu2, Jiao Xu3

  • 1School of Chemical Engineering and Pharmaceutics, Henan University of Science and Technology, Luoyang 471023, China. ffj2013@163.com.

Molecules (Basel, Switzerland)
|December 21, 2017
PubMed
Summary

This study reveals an unusual water cluster aggregate in a copper compound, forming a unique polymer-like structure. This structure acts as a conduit through hydrogen bonds, impacting crystal properties.

Keywords:
crystalglycinehydrogen-bondnanometer sizedwater cluster

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Area of Science:

  • Crystal Engineering
  • Supramolecular Chemistry
  • Coordination Chemistry

Background:

  • Hydrogen bonding plays a crucial role in the self-assembly of molecular structures.
  • Water clusters are fundamental motifs in crystal engineering and supramolecular chemistry.
  • Understanding the formation and properties of novel hydrogen-bonded networks is essential.

Purpose of the Study:

  • To elucidate the crystal structure of the copper(II) compound [CuCl(phen)(H₂NCH₂COO)]∙4H₂O.
  • To characterize the unusual hydrogen-bonded water cluster aggregate observed in the crystal.
  • To investigate the role of the copper complex in mediating the water cluster formation.

Main Methods:

  • Single-crystal X-ray diffraction analysis was performed to determine the molecular and crystal structure.
  • Analysis of hydrogen bonding interactions, including O-H∙∙∙Cl bonds, was conducted.
  • Visualization and characterization of the water cluster aggregate and its structural features.

Main Results:

  • The crystal structure of [CuCl(phen)(H₂NCH₂COO)]∙4H₂O exhibits an unprecedented T6(2)6(2) hydrogen-bond water cluster aggregate.
  • An isolated water cluster, [(H₂O)₁₄]n, with a shape resembling a phenanthro-[1,2]phenanthrene polymer was identified along the ac plane.
  • The copper complex bridges two parallel [(H₂O)₁₄]n planes via chloride ligands, forming a water cluster conduit through strong O-H∙∙∙Cl hydrogen bonds.

Conclusions:

  • The study reports a novel supramolecular architecture driven by hydrogen bonding between a copper complex and water molecules.
  • The observed water cluster conduit structure highlights the potential for designing intricate hydrogen-bonded networks in crystalline materials.
  • This finding contributes to the understanding of water's role in crystal engineering and the formation of complex supramolecular assemblies.