2024-03-29T06:15:54Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1730282020-05-10T15:04:38Zcom_10261_14181com_10261_4col_10261_14182
00925njm 22002777a 4500
dc
Rastogi, Monisha
author
Leidlmair, Christian
author
An der Lan, Lukas
author
Ortiz de Zárate, J.
author
Pérez de Tudela, Ricardo
author
Bartolomei, Massimiliano
author
Hernández, Marta I.
author
Campos-Martínez, José
author
González-Lezana, Tomás
author
Hernández-Rojas, Javier
author
Bretón, José
author
Scheier, Paul
author
Garchell, MIchael
author
2018-08-08
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.
Physical Chemistry Chemical Physics, 20: 25569-25576 (2018)
1463-9076
http://hdl.handle.net/10261/173028
10.1039/C8CP04522D
1463-9084
http://dx.doi.org/10.13039/501100000780
http://dx.doi.org/10.13039/501100003329
http://dx.doi.org/10.13039/501100002428
Lithium ions solvated in helium