Infrared Spectrum of a Molecular Ice Cube: The <i>S</i> <sub>4</sub> and <i>D</i> <sub>2</sub> <sub> <i>d</i> </sub> Water Octamers in Benzene-(Water) <sub>8</sub>

DOI Web Site 被引用文献18件
  • Christopher J. Gruenloh
    C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, Department of Chemistry, Purdue University, West Lafayette, IN 47907–1393, USA.
  • Joel R. Carney
    C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, Department of Chemistry, Purdue University, West Lafayette, IN 47907–1393, USA.
  • Caleb A. Arrington
    C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, Department of Chemistry, Purdue University, West Lafayette, IN 47907–1393, USA.
  • Timothy S. Zwier
    C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, Department of Chemistry, Purdue University, West Lafayette, IN 47907–1393, USA.
  • Sharon Y. Fredericks
    C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, Department of Chemistry, Purdue University, West Lafayette, IN 47907–1393, USA.
  • Kenneth D. Jordan
    C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, Department of Chemistry, Purdue University, West Lafayette, IN 47907–1393, USA.

抄録

<jats:p> Resonant two-photon ionization, ultraviolet hole-burning, and resonant ion-dip infrared (RIDIR) spectroscopy were used to assign and characterize the hydrogen-bonding topology of two conformers of the benzene-(water) <jats:sub>8</jats:sub> cluster. In both clusters, the eight water molecules form a hydrogen-bonded cube to which benzene is surface-attached. Comparison of the RIDIR spectra with density functional theory calculations is used to assign the two (water) <jats:sub>8</jats:sub> structures in benzene-(water) <jats:sub>8</jats:sub> as cubic octamers of <jats:italic>D</jats:italic> <jats:sub>2</jats:sub> <jats:sub> <jats:italic>d</jats:italic> </jats:sub> and <jats:italic>S</jats:italic> <jats:sub>4</jats:sub> symmetry, which differ in the configuration of the hydrogen bonds within the cube. OH stretch vibrational fundamentals near 3550 wave numbers provide unique spectral signatures for these “molecular ice cubes.” </jats:p>

収録刊行物

  • Science

    Science 276 (5319), 1678-1681, 1997-06-13

    American Association for the Advancement of Science (AAAS)

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