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Single Molecular Junction Study on H2 O@C60 : H2 O is "Electrostatically Isolated".

Satoshi Kaneko1, Yoshifumi Hashikawa2, Shintaro Fujii1

  • 1Department of Chemistry, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 W4-10 Ookayama, Meguro-ku, Tokyo, 152-8551, Japan.

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|February 21, 2017
PubMed
Summary
This summary is machine-generated.

Single water molecules inside fullerene cages (H2O@C60) were studied. Entrapped water acts as an isolated molecule, revealing fundamental properties beyond hydrogen bonding.

Keywords:
break junction techniqueelectron transferendohedral fullerenemolecular electronicssinge-molecule studies

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Nanotechnology

Background:

  • Hydrogen bonding dictates water's properties.
  • Studying single water molecules in isolation is challenging.
  • Endohedral fullerene H2O@C60 offers a unique model system.

Purpose of the Study:

  • To investigate the electronic properties of a single water molecule encapsulated in C60.
  • To understand the behavior of water in a non-hydrogen-bonding environment.
  • To determine if the entrapped water molecule interacts electrostatically with the fullerene cage.

Main Methods:

  • Single-molecule conductance measurements.
  • Fabrication of molecular junctions using H2O@C60.
  • Analysis of electronic transport properties.

Main Results:

  • The conductance of H2O@C60 junctions is comparable to empty C60.
  • Conductance values are higher than conventional molecular junctions due to π-system hybridization.
  • Evidence excludes electrostatic contact between entrapped H2O and the C60 cage.

Conclusions:

  • H2O@C60 serves as an ideal model for isolated single water molecules.
  • Entrapped water molecules within C60 are electrostatically isolated.
  • This provides fundamental insights into water properties outside of hydrogen bonding interactions.