Ionization potentials of superheavy elements No, Lr, and Rf and their ions

Dzuba, V. A.; Safronova, M. S.; Safronova, U. I.; Kramida, Alexander

doi:10.1103/physreva.94.042503

Cited by 20 publications

(14 citation statements)

References 34 publications

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“…This exception is chiefly due to our uncertainty in Dn* (60.005) which is more than double that proposed by Sugar and Reader. 3 A recent paper 30 has drawn attention to the discrepancy of 3000 cm 21 between the NIST value for the fourth ionization energy of praseodymium (38.98 eV) and the quantum mechanical value of Eliav et al (38.61 eV). 31 It suggests that Sugar and Reader's semi-empirical value might be at fault because of an aberrant value of Dn* brought on by configuration interaction between 4f7s and 5d6p levels.…”

Section: Fourth Ionization Energiesmentioning

confidence: 99%

Lanthanide Ionization Energies and the Sub-Shell Break. Part 2. The Third and Fourth Ionization Energies

Johnson

Nelson

2017

Journal of Physical and Chemical Reference Data

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By interpolating a 4fq6s → 4fq7s transition within the sequence f1 → f14 rather than between f0 and f14, revised third and fourth ionization energies of the lanthanides have been obtained. The revised values, together with the second ionization energies calculated in a previous paper, are used to calculate values of the standard enthalpies of formation of the gaseous tripositive ions, ΔfHƟ(M3+,g), and of the lattice and hydration enthalpies of some lanthanide compounds and ions in the trivalent and tetravalent states. The displacements of f0 values from nearly smooth f1 → f14 variations exceed 30 kJ mol−1 and indicate substantial subshell breaks.

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Section: Fourth Ionization Energiesmentioning

confidence: 99%

Lanthanide Ionization Energies and the Sub-Shell Break. Part 2. The Third and Fourth Ionization Energies

Johnson

Nelson

2017

Journal of Physical and Chemical Reference Data

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“…Calculated energy levels of Rf and its first three ions are presented in Table III and compared with other calculations. Energy levels of neutral Rf were calculated in a number of earlier works [11][12][13]24], energy levels of Rf+ were calculated in Refs. [11,13], only the ionization potential (IP) of Rf III and Rf IV were reported before [13,24,34].…”

Section: Resultsmentioning

confidence: 99%

Theoretical study of electronic structure of hafnium (Hf, Z=72) and rutherfordium (Rf, Z=104) atoms and their ions: Energy levels and hyperfine structure constants

Allehabi,

Dzuba,

Flambaum

2021

Preprint

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Energy levels, magnetic dipole, and electric quadrupole hyperfine structure of the superheavy element rutherfordium (Rf, Z=104) and its first three ions are calculated using a combination of the configuration interaction, coupled-cluster single-doubles, and many-body perturbation theory techniques. The results are to be used in future interpretations of the measurements in terms of nuclear magnetic dipole and electric quadrupole momenta. To have a guide on the accuracy of the study, we perform similar calculations for hafnium (Hf, Z=72) and its ions. Hf is a lighter analog of Rf with a similar electronic structure. Good agreement with the experiment for Hf and with available previous calculations of the energy levels of Rf is demonstrated.

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“…[Rn]5f 14 7s 2 7p -> [Rn]5f 14 7s 2 + e-and [Rn]5f 14 7s 2 -> [Rn]5f 14 7s + 2e-, respectively [18][19][20][21][22][23][24][25][26].…”

Section: Discussionunclassified

“…Theoretical predictions, taking into account relativistic effects, were able to successfully reproduce Lr's observed low IP 1. These suggested that the ground state electronic configuration for Lr is [Rn]5f 14 7s 2 7p [18][19][20][21][22][23][24][25][26]. These measurements of the IP 1 values for the late-actinide elements indicated that the 5f orbital is first fully-occupied at No, whose electron configuration is predicted to be [Rn]5f 14 7s 2 [16].…”

Section: Implications For the Second-ionization Potential Of Lawrenciummentioning

confidence: 98%

“…There are recent theoretical and experimental studies that have provided critical information to evaluate the placement of Lu and Lr [15][16][17][18][19][20][21][22][23][24][25][26]. Of these studies, perhaps the most compelling are those that can elucidate information on the first-(IP 1 ) and second-ionization potentials (IP 2 ) of these and neighboring elements.…”

Section: Introductionmentioning

confidence: 99%

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Assessment of the Second-Ionization Potential of Lawrencium: Investigating the End of the Actinide Series with a One-Atom-at-a-Time Gas-Phase Ion Chemistry Technique

et al. 2021

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Experiments were performed at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron facility to investigate the electron-transfer reduction reaction of dipositive Lr (Z = 103) with O 2 gas. Ions of 255 Lr were produced in the fusion−evaporation reaction 209 Bi( 48 Ca,2n) 255 Lr and were studied with a novel gas-phase ion chemistry technique. The produced 255 Lr 2+ ions were trapped and O 2 gas was introduced, such that the charge-exchange reaction to reduce 255 Lr 2+ to 255 Lr 1+ was observed and the reaction rate constant was determined to be k = 1.5(7) × 10 −10 cm 3 /mol/s. The observation that this reaction proceeds establishes the lower limit on the second ionization potential of Lr to be 13.3(3) eV. This gives further support that the actinide series terminates with Lr. Additionally, this result can be used to better interpret the situation concerning the placement of Lu and Lr on the periodic table within the current framework of the actinide hypothesis. The success of this experimental approach now identifies unique opportunities for future gas-phase reaction studies on actinide and super heavy elements.

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Ionization potentials of superheavy elements No, Lr, and Rf and their ions

Cited by 20 publications

References 34 publications

Lanthanide Ionization Energies and the Sub-Shell Break. Part 2. The Third and Fourth Ionization Energies

Lanthanide Ionization Energies and the Sub-Shell Break. Part 2. The Third and Fourth Ionization Energies

Theoretical study of electronic structure of hafnium (Hf, Z=72) and rutherfordium (Rf, Z=104) atoms and their ions: Energy levels and hyperfine structure constants

Assessment of the Second-Ionization Potential of Lawrencium: Investigating the End of the Actinide Series with a One-Atom-at-a-Time Gas-Phase Ion Chemistry Technique

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