Electronic Structure and Gas-Phase Behaviour of the Heaviest Elements

Journal Article · Fri Apr 30 00:00:00 EDT 2010 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.3431426· OSTI ID:21367178

Pershina, V ^[1]; Anton, J; Jacob, T ^[2]; Borschevsky, A ^[3]

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1. GSI Helmholtzzentrum fuer Schwerionenforschung, Planckstr. 1, D-64342 Darmstadt (Germany)
2. Institute for Electrochemistry, University of Ulm, Albert-Einstein-Alee 47, D-89069 Ulm (Germany)
3. School of Chemistry, Tel Aviv University, 69978 Tel Aviv (Israel)

Electronic structures and gas-phase adsorption behaviour of the heaviest elements 112, 113 and 114 and of their lighter homologs Hg, Tl and Pb is studied on the basis of ab initio Dirac-Coulomb atomic and four-component Density Functional Theory molecular and cluster calculations. The heaviest elements were shown to have low adsorption enthalpies on Teflon and should, therefore, be well transported through Teflon capillaries from the target chamber to the chemistry set up. Adsorption enthalpies of these elements on the Au(111) surface are predicted as -44.5 kJ/mol, -158.6 kJ/mol and -68.5 kJ/mol, respectively, giving the following sequence in the adsorption temperatures 113>114>112.

• OSTI ID: 21367178
• Journal Information: AIP Conference Proceedings, Vol. 1224, Issue 1; Conference: International symposium on exotic nuclei, Sochi (Russian Federation), 28 Sep - 2 Oct 2009; Other Information: DOI: 10.1063/1.3431426; (c) 2010 American Institute of Physics; ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADSORPTION
BINDING ENERGY
COPERNICIUM
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
ELEMENT 113
ELEMENT 114
ENTHALPY
LEAD
MERCURY
SURFACES
TARGET CHAMBERS
TEFLON
THALLIUM
ACCELERATOR FACILITIES
CALCULATION METHODS
ELEMENTS
ENERGY
FLUORINATED ALIPHATIC HYDROCARBONS
HALOGENATED ALIPHATIC HYDROCARBONS
MATERIALS
METALS
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC POLYMERS
PETROCHEMICALS
PETROLEUM PRODUCTS
PHYSICAL PROPERTIES
PLASTICS
POLYETHYLENES
POLYMERS
POLYOLEFINS
POLYTETRAFLUOROETHYLENE
SORPTION
SYNTHETIC MATERIALS
THERMODYNAMIC PROPERTIES
TRANSACTINIDE ELEMENTS
TRANSPLUTONIUM ELEMENTS
TRANSURANIUM ELEMENTS
VARIATIONAL METHODS