Electronic structure and properties of isoelectronic magic clusters: Al13X (X=H,Au,Li,Na,K,Rb,Cs).
The equilibrium structure, stability, and electronic properties of the Al(13)X (X=H,Au,Li,Na,K,Rb,Cs) clusters have been studied using a combination of photoelectron spectroscopy experiment and density functional theory. All these clusters constitute 40 electron systems with 39 electrons contributed by the 13 Al atoms and 1 electron contributed by each of the X (X=H,Au,Li,Na,K,Rb,Cs) atom. A systematic study allows us to investigate whether all electrons contributed by the X atoms are alike and whether the structure, stability, and properties of all the magic clusters are similar. Furthermore, quantitative agreement between the calculated and the measured electron affinities and vertical detachment energies enable us to identify the ground state geometries of these clusters both in neutral and anionic configurations.
Ko
Yeon Jae
YJ
Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21209, USA.
Shakya
Anisha
A
Wang
Haopeng
H
Grubisic
Andrej
A
Zheng
Weijun
W
Götz
Matthias
M
Ganteför
Gerd
G
Bowen
Kit H
KH
Jena
Puru
P
Kiran
Boggavarapu
B