Lithium ions solvated in helium

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.

Leidlmair, Christian (author)
An der Lan, Lukas (author)
Ortiz de Zarate, Josu (author)
de Tudela, Ricardo Perez (author)
Bartolomei, Massimiliano (author)
Hernandez, Marta I. (author)
Campos-Martinez, Jose (author)
Gonzalez-Lezana, Tomas (author)
Hernandez-Rojas, Javier (author)
Breton, Jose (author)
Scheier, Paul (author)
Gatchell, MichaelStockholms universitet,Fysikum,Universität Innsbruck, Austria(Swepub:su)miga8512 (author)
Stockholms universitetFysikum (creator_code:org_t)

In:Physical Chemistry, Chemical Physics - PCCP: Royal Society of Chemistry (RSC)20:40, s. 25569-255761463-90761463-9084

By the author/editor: Rastogi, Monisha; Leidlmair, Chris ...; An der Lan, Luka ...; Ortiz de Zarate, ...; de Tudela, Ricar ...; Bartolomei, Mass ...; show more...; Hernandez, Marta ...; Campos-Martinez, ...; Gonzalez-Lezana, ...; Hernandez-Rojas, ...; Breton, Jose; Scheier, Paul; Gatchell, Michae ...; show less...

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