Experimental and theoretical investigations of ionization potentials and structures of mixed sodium lithium clusters

被引：35

作者：

Benichou, E ^{[1
]}

Allouche, AR ^{[1
]}

Aubert-Frecon, M ^{[1
]}

Antoine, R ^{[1
]}

Broyer, M ^{[1
]}

Dugourd, P ^{[1
]}

Rayane, D ^{[1
]}

机构：

[1] Univ Lyon 1, Spectrometrie Ion & Mol Lab, CNRS, UMR 5579, F-69622 Villeurbanne, France

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 290卷 / 1-3期

关键词：

D O I：

10.1016/S0009-2614(98)00513-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have measured the ionization potentials (IP) of Nan-mLim clusters (3 less than or equal to n less than or equal to 21 and 1 less than or equal to m less than or equal to 3) generated in a supersonic beam. The IPs of mixed clusters are dose to the values obtained for pure sodium and pure lithium clusters. They display the features of a metallic system with n delocalized electrons. For clusters containing 2-6 atoms, we have performed density functional theory calculations. The IPs calculated for the lowest-energy structures are in good agreement with experiment. The geometries of the heteronuclear clusters, in particular the 2D-3D transition, are discussed in detail. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：171 / 179

页数：9

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