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Título: | Lithium ions solvated in helium |
Autor: | Rastogi, Monisha; Leidlmair, Christian; An der Lan, Lukas; Ortiz de Zárate, J. CSIC; Pérez de Tudela, Ricardo CSIC ORCID; Bartolomei, Massimiliano CSIC ORCID ; Hernández, Marta I. CSIC ORCID; Campos-Martínez, José CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Hernández-Rojas, Javier; Bretón, José; Scheier, Paul; Garchell, MIchael | Fecha de publicación: | 8-ago-2018 | Editor: | Royal Society of Chemistry (UK) | Citación: | Physical Chemistry Chemical Physics, 20: 25569-25576 (2018) | Resumen: | 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. | Descripción: | 9 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 | Versión del editor: | http://doi.org/10.1039/C8CP04522D | URI: | http://hdl.handle.net/10261/173028 | DOI: | 10.1039/C8CP04522D | ISSN: | 1463-9076 | E-ISSN: | 1463-9084 |
Aparece en las colecciones: | (CFMAC-IFF) Artículos |
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c8cp04522d.pdf | Artículo principal | 3,3 MB | Adobe PDF | Visualizar/Abrir |
Electronic Supplementary Material.pdf | 753,79 kB | Adobe PDF | Visualizar/Abrir |
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