Isolating the Spectroscopic Signature of a Hydration Shell With the Use of Clusters: Superoxide Tetrahydrate

See allHide authors and affiliations

Science  31 Mar 2000:
Vol. 287, Issue 5462, pp. 2461-2463
DOI: 10.1126/science.287.5462.2461

You are currently viewing the abstract.

View Full Text

Log in to view the full text

Log in through your institution

Log in through your institution


Cluster spectroscopy, aided by ab initio theory, was used to determine the detailed structure of a complete hydration shell around an anion. Infrared spectra of size-selected O2 · (H2O)n(n = 1 to 4) cluster ions were obtained by photoevaporation of an argon nanomatrix. Four water molecules are required to complete the coordination shell. The simple spectrum of the tetrahydrate reveals a structure in which each water molecule is engaged in a single hydrogen bond to one of the four lobes of the π* orbital of the superoxide, whereas the water molecules bind together in pairs. This illustrates how water networks deform upon accommodating a solute ion to create a distinct supramolecular species.

  • * Present address: Institute of Physics and Astronomy, Aarhus Center for Advanced Physics, University of Aarhus, Ny Munkegade, DK-8000 Aarhus C, Denmark.

  • Present address: Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Post Office Box 999, Richland, WA 99352, USA.

  • To whom correspondence should be addressed. E-mail: mark.johnson{at}

View Full Text

Stay Connected to Science