Electronic structure of eka-lead (element 114) compared with lead

Citation
A. Landau et al., Electronic structure of eka-lead (element 114) compared with lead, J CHEM PHYS, 114(7), 2001, pp. 2977-2980
Citations number
41
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
7
Year of publication
2001
Pages
2977 - 2980
Database
ISI
SICI code
0021-9606(20010215)114:7<2977:ESOE(1>2.0.ZU;2-3
Abstract
The electronic level structure of eka-lead (element 114), the synthesis of which was reported last year, is studied by the recently developed intermed iate Hamiltonian Fock-space coupled-cluster method. Very large basis sets a re used, with l up to 8, and 36 electron are correlated. The accuracy of th e resulting transition energies is tested by applying the same method to Pb ; calculated ionization potentials and excitation energies agree with exper iment within a few hundredths of an eV, and similar accuracy is expected fo r the heavier element. Ionization potentials and excitation energies of E11 4 are considerably higher than for Pb, due to the relativistic stabilizatio n of the 7s and 7p(1/2) orbitals. This indicates that eka-lead will probabl y be more inert and less metallic than lead. (C) 2001 American Institute of Physics.