Lithium ions solvated in helium. Issue 40 (16th August 2018)

• Record Type: Journal Article
• Authors: 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
• Is Part Of: Physical chemistry chemical physics. Volume 20:Issue 40(2018)
• Page Start: 25569
• Page End: 25576
• Publication Date: 2018-08-16
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c8cp04522d
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : We report on a combined experimental and theoretical study of Li + ions solvated by up to 50 He atoms. Abstract : 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.