Ionization potentials of hypervalent LinC (2 ≤ n ≤ 10)
| Autor: | Frederik Vanhoutte, Roger Silverans, Steven Bouckaert, A. Navarro-Vázquez, Peter Thoen, Paul von Ragué Schleyer, W. Bouwen, Peter Lievens, Horst Weidele |
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| Předmět: |
Materials science
Hypervalent molecule chemistry.chemical_element Photoionization Atomic and Molecular Physics and Optics chemistry Ionization Physics::Atomic and Molecular Clusters Lithium Density functional theory Physics::Atomic Physics Atomic physics Adiabatic process Spectroscopy Electron ionization |
| Zdroj: | Scopus-Elsevier |
| Popis: | We report on a combined experimental and theoretical investigation of the ionization potentials of small lithium monocarbide clusters. The clusters were produced by a laser vaporization source, and their ionization potentials were measured by threshold photoionization spectroscopy. The structures of the smaller clusters (n≤8), which are governed by hypervalent (hyperlithiated) bonding mechanisms, were calculated by means of density functional theory. Vertical and adiabatic ionization potentials were computed and compared with the experimental data. |
| Databáze: | OpenAIRE |
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