Literature DB >> 21141866

Ionization potentials, electron affinities, resonance excitation energies, oscillator strengths, and ionic radii of element Uus (Z = 117) and astatine.

Zhiwei Chang1, Jiguang Li, Chenzhong Dong.   

Abstract

Multiconfiguration Dirac-Fock (MCDF) method was employed to calculate the first five ionization potentials, electron affinities, resonance excitation energies, oscillator strengths, and radii for the element Uus and its homologue At. Main valence correlation effects were taken into account. The Breit interaction and QED effects were also estimated. The uncertainties of calculated IPs, EAs, and IR for Uus and At were reduced through an extrapolation procedure. The good consistency with available experimental and other theoretical values demonstrates the validity of the present results. These theoretical data therefore can be used to predict some unknown physicochemical properties of element Uus, Astatine, and their compounds.

Entities:  

Year:  2010        PMID: 21141866     DOI: 10.1021/jp107411s

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  2 in total

1.  Measurement of the first ionization potential of astatine by laser ionization spectroscopy.

Authors:  S Rothe; A N Andreyev; S Antalic; A Borschevsky; L Capponi; T E Cocolios; H De Witte; E Eliav; D V Fedorov; V N Fedosseev; D A Fink; S Fritzsche; L Ghys; M Huyse; N Imai; U Kaldor; Yuri Kudryavtsev; U Köster; J F W Lane; J Lassen; V Liberati; K M Lynch; B A Marsh; K Nishio; D Pauwels; V Pershina; L Popescu; T J Procter; D Radulov; S Raeder; M M Rajabali; E Rapisarda; R E Rossel; K Sandhu; M D Seliverstov; A M Sjödin; P Van den Bergh; P Van Duppen; M Venhart; Y Wakabayashi; K D A Wendt
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

2.  The electron affinity of astatine.

Authors:  David Leimbach; Julia Karls; Yangyang Guo; Rizwan Ahmed; Jochen Ballof; Lars Bengtsson; Ferran Boix Pamies; Anastasia Borschevsky; Katerina Chrysalidis; Ephraim Eliav; Dmitry Fedorov; Valentin Fedosseev; Oliver Forstner; Nicolas Galland; Ronald Fernando Garcia Ruiz; Camilo Granados; Reinhard Heinke; Karl Johnston; Agota Koszorus; Ulli Köster; Moa K Kristiansson; Yuan Liu; Bruce Marsh; Pavel Molkanov; Lukáš F Pašteka; João Pedro Ramos; Eric Renault; Mikael Reponen; Annie Ringvall-Moberg; Ralf Erik Rossel; Dominik Studer; Adam Vernon; Jessica Warbinek; Jakob Welander; Klaus Wendt; Shane Wilkins; Dag Hanstorp; Sebastian Rothe
Journal:  Nat Commun       Date:  2020-07-30       Impact factor: 14.919

  2 in total

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