The asymmetric cage structure of (H2O)7 from a combined spectroscopic and computational study

DOI PDF 5 Citations
  • Jesko Brudermann
    Max-Planck-Institut für Strömungsforschung, Bunsenstrasse 10, D-37073 Göttingen, Germany
  • Mario Melzer
    Max-Planck-Institut für Strömungsforschung, Bunsenstrasse 10, D-37073 Göttingen, Germany
  • Udo Buck
    Max-Planck-Institut für Strömungsforschung, Bunsenstrasse 10, D-37073 Göttingen, Germany
  • Jan K. Kazimirski
    Industrial Chemistry Research Institute, Warsaw, Poland
  • Joanna Sadlej
    Department of Chemistry, University of Warsaw, 02-093 Warsaw, Poland
  • Victoria Bush
    The Fritz Haber Institute for Molecular Dynamics, The Hebrew University, Jerusalem 91904, Israel

Abstract

<jats:p>The vibrational OH stretch spectra have been measured for the size-selected pure water clusters (H2O)7. In contrast to (H2O)n, n=8–10 clusters, which exhibit three distinct bands corresponding to three distinct types of OH bonds, the heptamer spectrum displays seven bands spanning the range from 2935 to 3720 cm−1. Calculations suggest that the spectra originate from two isomers, derived from the S4 octamer cube by removal of either one double donor or one double acceptor water molecule.</jats:p>

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