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Solvation of K+ in helium droplets
Date
2007-5-24
Author
Yurtsever, E.
Yıldırım, Erol
Yurtsever, M.
Bodo, E.
Gianturco, F. A.
Metadata
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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.
Subject Keywords
HE
,
Clusters
,
Atoms
,
Ion
,
Microsolvation
,
Potentials
,
Molecules
,
Energy
,
LI+
URI
https://hdl.handle.net/11511/28450
Journal
The European Physical Journal D
DOI
https://doi.org/10.1140/epjd/e2007-00068-x
Collections
Department of Chemistry, Article
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E. Yurtsever, E. Yıldırım, M. Yurtsever, E. Bodo, and F. A. Gianturco, “Solvation of K+ in helium droplets,”
The European Physical Journal D
, pp. 105–108, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/28450.