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 He(n)Li(+) clusters where n = 2, 6, 8, and 14. We find that classical methods, e.g. basin-hopping (BH), give results that qualitative...

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Detalles Bibliográficos
Autores principales: Rastogi, Monisha, Leidlmair, Christian, An der Lan, Lukas, Ortiz de Zárate, Josu, Pérez de Tudela, Ricardo, Bartolomei, Massimiliano, Hernández, Marta I., Campos-Martínez, José, González-Lezana, Tomás, Hernández-Rojas, Javier, Bretón, José, Scheier, Paul, Gatchell, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6194493/
https://www.ncbi.nlm.nih.gov/pubmed/30112553
http://dx.doi.org/10.1039/c8cp04522d
Descripción
Sumario: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 He(n)Li(+) 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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