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Lithium ions solvated in helium

AuthorsRastogi, Monisha; Leidlmair, Christian; An der Lan, Lukas; Ortiz de Zárate, J.; Pérez de Tudela, Ricardo ; Bartolomei, Massimiliano ; Hernández, Marta I. ; Campos-Martínez, José ; González-Lezana, Tomás ; Hernández-Rojas, Javier; Bretón, José; Scheier, Paul; Garchell, MIchael
Issue Date8-Aug-2018
PublisherRoyal Society of Chemistry (UK)
CitationPhysical Chemistry Chemical Physics, 20: 25569-25576 (2018)
AbstractWe 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.
Description9 pags., 7 figs., 1 tab. -- Open Access funded by Creative Commons Atribution Licence 3.0. -- This article is part of the themed collection: 2018 PCCP HOT Articles
Publisher version (URL)http://doi.org/10.1039/C8CP04522D
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