title: Electronic structure and properties of isoelectronic magic clusters: Al13X (X=H,Au,Li,Na,K,Rb,Cs).
abstract: 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.
authors.affiliation: Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21209, USA.
authors.forename: Yeon Jae
authors.initials: YJ
authors.lastname: Ko
authors.forename: Anisha
authors.initials: A
authors.lastname: Shakya
authors.forename: Haopeng
authors.initials: H
authors.lastname: Wang
authors.forename: Andrej
authors.initials: A
authors.lastname: Grubisic
authors.forename: Weijun
authors.initials: W
authors.lastname: Zheng
authors.forename: Matthias
authors.initials: M
authors.lastname: Götz
authors.forename: Gerd
authors.initials: G
authors.lastname: Ganteför
authors.forename: Kit H
authors.initials: KH
authors.lastname: Bowen
authors.forename: Puru
authors.initials: P
authors.lastname: Jena
authors.forename: Boggavarapu
authors.initials: B
authors.lastname: Kiran