The submersion of sodium clusters in helium nanodroplets: Identification of the surface → interior transition

An der Lan, Lukas; Bartl, Peter; Leidlmair, Christian; Schöbel, Harald; Jochum, Roland; Denifl, Stephan; Märk, Tilmann D.; Ellis, Andrew M.; Scheier, Paul

doi:doi:10.1063/1.3610388

Volume/Page
Keyword
DOI
Citation
Advanced

Volume: Page/Article:

Search Content Type

article doi:

Citation:

Full-dimensional analytical ab initio potential energy surface of the ground state of HOI

Extensive ab initio calculations using a complete active space second-order perturbation theory wavefunction, including scalar and spin-orbit relativistic effects with a quadruple-zeta quality basis set were used to construct an analytical potential energy surface (PES) of the ground state of the [H, O, I] system. A total of 5344 points were fit to a three-dimensional function of the internuclear distances, with a global root-mean-square error of 1.26 kcal mol−1. The resulting PES describes accu...

Derivatives and dimers of C₅₀-D_5h and C₅₀-D₃: A comparison of two closely related but quite differently behaving fullerenes

A density functional theory study on the reactivity of the energetically most stable C50 isomers, C50-D5h and C50-D3, is presented. We explore the reactivity of both fullerenes towards the addition of hydrogen and halogen atoms and towards the formation of dimers. The addition patterns of the derivatives C50X2n (X = H, F, Cl) that are preferably formed after the saturation of the most reactive sites are investigated as well. The study reveals that while the results for C50-D5h are in agreement w...

The submersion of sodium clusters beyond a critical size in helium nanodroplets, which has recently been predicted on theoretical grounds, is demonstrated for the first time. Confirmation of a clear transition from a surface location, which occurs for alkali atoms and small clusters, to full immersion for larger clusters, is provided by identifying the threshold electron energy required to initiate Na_n cluster ionization. On the basis of these measurements, a lower limit for the cluster size required for submersion, n ≥ 21, has been determined. This finding is consistent with the recent theoretical prediction.

Article Outline

INTRODUCTION
EXPERIMENTAL
RESULTS AND DISCUSSION
1. Magic numbers
2. Sodium cluster immersion
3. Formation of large Na _n clusters
CONCLUSIONS

RELATED DATABASES

To view database links for this article, you need to log in.

KEYWORDS and PACS

Keywords

atomic clusters, drops, helium, ionisation, metal clusters, molecule-surface impact, nanostructured materials, sodium

PACS

36.40.Jn

Reactivity of clusters
34.50.Gb

Electronic excitation and ionization of molecules
34.35.+a

Interactions of atoms and molecules with surfaces

ARTICLE DATA

Digital Object Identifier

http://dx.doi.org/10.1063/1.3610388

PUBLICATION DATA

ISSN

0021-9606 (print)

1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef

American Institute of Physics

Figures (5)

Access to article objects (figures, tables, multimedia) requires a subscription; log in to view available files.
(Access to supplementary files, where available, is free for this journal.)