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Solvation of K+ in helium droplets

  • Helium Clusters and Spectroscopy
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Abstract.

Solvation of K+ in helium droplets is studied by classical simulation methods. We have previously shown that additive potentials can be used to describe structures of helium droplets when an ionic species is present. Here, we present an accurate ab-initio potential for the K+ – He interaction. Global minima of KHen + for up to n=70 are searched for employing Basin Hopping Monte Carlo simulations with a random growth scheme. The extent of the solvation is analyzed. A clear formation of two shells with 15 and 23 atoms is detected.

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Authors and Affiliations

  1. Chem. Dep., Koç Uni. Istanbul, Istanbul, 34450, Turkey

    E. Yurtsever

  2. Chem. Dep., Istanbul Tech. Uni., Istanbul, 34469, Turkey

    E. Yildirim & M. Yurtsever

  3. Chem. Dep., University of Rome “La Sapienza”, Rome, 00185, Italy

    E. Bodo & F. A. Gianturco

Authors
  1. E. Yurtsever
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  2. E. Yildirim
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  3. M. Yurtsever
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  4. E. Bodo
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  5. F. A. Gianturco
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Correspondence to E. Yurtsever.

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Yurtsever, E., Yildirim, E., Yurtsever, M. et al. Solvation of K+ in helium droplets. Eur. Phys. J. D 43, 105–108 (2007). https://doi.org/10.1140/epjd/e2007-00068-x

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  • DOI: https://doi.org/10.1140/epjd/e2007-00068-x

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