1993
DOI: 10.1524/ract.1993.62.12.17
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Ionization Potentials and Radii of Atoms and Ions of Element 105 (unnilpentium) and Ions of Tantalum Derived from Multiconfiguration Dirac-Fock Calculations

Abstract: Multiconfiguration relativistic Dirac-Fock (MCDF) values were calculated for the first five ionization potentials of element 105 (unnilpentium) and of the other group 5b elements (V, Nb, and Ta). Some of these ionization potentials in electron volts (eV) with uncertainties are: 105(0), 7.Ta(3 + ) were also calculated. Accurate experimental values for these ionization potentials are not available. Ionic radii are presented for the 2+, 3 + , 4+, and 5+ ions of element 105 and for the +2 ions of vanadium and niob… Show more

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Cited by 58 publications
(69 citation statements)
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“…2 . This is in agreement with early relativistic calculations by Desclaux [94] and with a MCDF calculation by Fricke et al [112]. Thus, a significant contribution of the 7 p 1/2 state to the ground state is not expected for Db.…”
Section: According To the Glückauf Equation Of Chromatography The Elsupporting
confidence: 92%
“…2 . This is in agreement with early relativistic calculations by Desclaux [94] and with a MCDF calculation by Fricke et al [112]. Thus, a significant contribution of the 7 p 1/2 state to the ground state is not expected for Db.…”
Section: According To the Glückauf Equation Of Chromatography The Elsupporting
confidence: 92%
“…This is in agreement with early relativistic calculations [92] and with a recent MCDF calculation [111]. Thus, a significant contribution of the 7p 1/2 state to the ground state is not expected for Db.…”
Section: Theoretical Predictionssupporting
confidence: 92%
“…Thus, a significant contribution of the 7p 1/2 state to the ground state is not expected for Db. Atomic and ionic radii and the first through fifth ionization potentials were calculated in [111]. Differences between the chemical behavior of Db and the extrapolated properties of an eka-tantalum could result from a larger ionic radius, a different effective charge, and a different radial extension of the 6d orbitals, which are most important in its molecular bondings [100,[110][111][112][113][114][115].…”
Section: Theoretical Predictionsmentioning
confidence: 99%
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“…inner shell electrons 2 ). Furthermore, the precise determination of the first ionization potential of the actinides allows to test the predictions of multi-configuration DiracFock calculations 3 ).…”
Section: Introductionmentioning
confidence: 99%