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Lithium ions solvated in helium

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Abstract

We report on a combined experimental and theoretical study of Li+ ions solvated by up to 50 He atoms. The experiments show clear enhanced abundances associated with HenLi+ clusters where n = 2, 6, 8, and 14. We find that classical methods, e.g. basin-hopping (BH), give results that qualitatively agree with quantum mechanical methods such as path integral Monte Carlo, diffusion Monte Carlo and quantum free energy, regarding both energies and the solvation structures that are formed. The theory identifies particularly stable structures for n = 4, 6 and 8 which line up with some of the most abundant features in the experiments.

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Publication details

The article was received on 17 Jul 2018, accepted on 08 Aug 2018 and first published on 08 Aug 2018


Article type: Paper
DOI: 10.1039/C8CP04522D
Citation: Phys. Chem. Chem. Phys., 2018, Advance Article
  • Open access: Creative Commons BY license
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    Lithium ions solvated in helium

    M. Rastogi, C. Leidlmair, L. An der Lan, J. Ortiz de Zárate, R. Pérez de Tudela, M. Bartolomei, M. I. Hernández, J. Campos-Martínez, T. González-Lezana, J. Hernández-Rojas, J. Bretón, P. Scheier and M. Gatchell, Phys. Chem. Chem. Phys., 2018, Advance Article , DOI: 10.1039/C8CP04522D

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