Chemical and nuclear studies of hassium and element 112

̈ggeler, H.W. Ga; ̈chle, W. Bru; ̈llmann, Ch.E. Du; Dressler, R.; Eberhardt, Κ.; Eichler, Β.; Eichler, Robert; Folden, C. M.; Ginter, T. N.; Glaus, F.; Gregorich, K. E.; Haenssler, F.; Hoffman, Darleane C.; ̈ger, E. Ja; Jost, D.T.; Kirbach, U.; Kratz, Jens Volker; Nitsche, H.; Patin, J. B.; Pershina, V.; Piguet, D.; Qin, Z. H.; Rieth, U.; ̈del, M. Scha; Schimpf, E.; Schausten, Β.; Soverna, S.; Sudowe, Ralf; ̈rle, P. Tho; Trautmann, Ν.; ̈rler, A. Tu; Vahle, A.; Wilk, P. A.; Wirth, G.; Yakushev, A.; Zweidorf, A. von

doi:10.1016/j.nuclphysa.2004.01.036

Cited by 30 publications

(3 citation statements)

References 9 publications

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“…However, the fragment energies were lower than expected, which was attributed to a thin layer of ice that has formed on the detectors at such low temperatures. It was concluded that all three chemical studies on Cn yielded a consistent picture, namely that Cn is not interacting with Au and is more similar to Rn . However, since later physics studies could not confirm the SF-decay of 3-min 283 Cn but rather showed that this isotope decays via α-emission with t 1/2 ≈ 4 s to 279 Ds, the transport time for nuclei produced at the accelerator to the detector array in all chemistry experiments performed so far was too long for identification of a 4-s isotope.…”

Section: Resultsmentioning

confidence: 97%

Advances in the Production and Chemistry of the Heaviest Elements

2013

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Section: Resultsmentioning

confidence: 97%

Advances in the Production and Chemistry of the Heaviest Elements

2013

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“…(d) Several exotic cations beyond Rf (Z = 104) for which chemical compounds are known: Db 5+ (Z = 105) (Ga ¨ggeler & Tu ¨rler, 2014), Sg 6+ (Z = 106) (Hu ¨bener et al, 2001;Ga ¨ggeler & Tu ¨rler, 2014), Bh 7+ (Z = 107) (Eichler et al, 2000;Ga ¨ggeler & Tu ¨rler, 2014), Hs 8+ (Z = 108) (Ga ¨ggeler & Tu ¨rler, 2014) and Cn 2+ (Z = 112) (Chiera et al, 2015).…”

Section: Relativistic Calculationsmentioning

confidence: 99%

Revisited relativistic Dirac–Hartree–Fock X-ray scattering factors. II. Chemically relevant cations and selected monovalent anions for atoms with Z = 3–112

Olukayode¹,

Fischer²,

Volkov³

2023

Acta Crystallogr A Found Adv

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The previously described approach for determination of the relativistic atomic X-ray scattering factors (XRSFs) at the Dirac–Hartree–Fock level [Olukayode et al. (2023). Acta Cryst. A79, 59–79] has been used to evaluate the XRSFs for a total of 318 species including all chemically relevant cations [Greenwood & Earnshaw (1997). Chemistry of the Elements], six monovalent anions (O−, F−, Cl−, Br−, I−, At−), the ns 1 np 3 excited (valence) states of carbon and silicon, and several exotic cations (Db5+, Sg6+, Bh7+, Hs8+ and Cn2+) for which the chemical compounds have been recently identified, thus significantly extending the coverage relative to all the earlier studies. Unlike the data currently recommended by the International Union of Crystallography (IUCr) [Maslen et al. (2006). International Tables for Crystallography, Vol. C, Section 6.1.1, pp. 554–589], which originate from different levels of theory including the non-relativistic Hartree–Fock and correlated methods, as well as the relativistic Dirac–Slater calculations, the re-determined XRSFs come from a uniform treatment of all species within the same relativistic B-spline Dirac–Hartree–Fock approach [Zatsarinny & Froese Fischer (2016). Comput. Phys. Comm. 202, 287–303] that includes the Breit interaction correction and the Fermi nuclear charge density model. While it was not possible to compare the quality of the generated wavefunctions with that from the previous studies due to a lack (to the best of our knowledge) of such data in the literature, a careful comparison of the total electronic energies and the estimated atomic ionization energies with experimental and theoretical values from other studies instils confidence in the quality of the calculations. A combination of the B-spline approach and a fine radial grid allowed for a precise determination of the XRSFs for each species in the entire 0 ≤ sin θ/λ ≤ 6 Å−1 range, thus avoiding the necessity for extrapolation in the 2 ≤ sin θ/λ ≤ 6 Å−1 interval which, as was shown in the first study, may lead to inconsistencies. In contrast to the Rez et al. work [Acta Cryst. (1994), A50, 481–497], no additional approximations were introduced when calculating wavefunctions for the anions. The conventional and extended expansions were employed to produce interpolating functions for each species in both the 0 ≤ sin θ/λ ≤ 2 Å−1 and 2 ≤ sin θ/λ ≤ 6 Å−1 intervals, with the extended expansions offering a significantly better accuracy at a minimal computational overhead. The combined results of this and the previous study may be used to update the XRSFs for neutral atoms and ions listed in Vol. C of the 2006 edition of International Tables for Crystallography.

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“…Recently, successful chemistry experiments were performed on element 112 (i.e., Cn); however, its behavior is still not fully understood. Early gas-phase experiments, which had issues with production and identification methods, indicated that Cn may behave unlike its lighter homologue Hg. − A more recent gas-phase experiment, which was better optimized, indicated that Cn is a very volatile metal (more so than its homologue Hg) that has a metallic interaction with a gold surface as expected of a typical element of group 12. From these calculations and gas-phase experiments, it is hypothesized that Cn should behave in solution similarly to Hg, albeit being more volatile.…”

Section: Introductionmentioning

confidence: 99%

Unsaturated Sulfur Crown Ethers Can Extract Mercury(II) and Show Promise for Future Copernicium(II) Studies: A Combined Experimental and Computational Study

et al. 2021

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The unsaturated hexathia-18-crown-6 (UHT18C6) molecule was investigated for the extraction of Hg(II) in HCl and HNO3 media. This extractant can be directly compared to the recently studied saturated hexathia-18-crown-6 (HT18C6). The default conformation of the S lone pairs in UHT18C6 is endodentate, where the pocket of the charge density, according to the crystal structures, is oriented toward the center of the ring, which should allow better extraction for Hg(II) compared to the exodentate HT18C6. Batch study experiments showed that Hg(II) had better extraction at low acid molarity (ca. 99% in HCl and ca. 95% in HNO3), while almost no extraction was observed above 0.4 M HCl and 4 M HNO3 (<5%). Speciation studies were conducted with the goal of delineating a plausible extraction mechanism. Density functional theory calculations including relativistic effects were carried out on both Hg(II)-encapsulated HT18C6 and UHT18C6 complexes to shed light on the binding strength and the nature of bonding. Our calculations offer insights into the extraction mechanism. In addition to Hg(II), calculations were performed on the hypothetical divalent Cn(II) ion, and showed that HT18C6 and UHT18C6 could extract Cn(II). Finally, the extraction kinetics were explored to assess whether this crown can extract the short-lived Cn(II) species in a future online experiment.

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Chemical and nuclear studies of hassium and element 112

Cited by 30 publications

References 9 publications

Advances in the Production and Chemistry of the Heaviest Elements

Advances in the Production and Chemistry of the Heaviest Elements

Revisited relativistic Dirac–Hartree–Fock X-ray scattering factors. II. Chemically relevant cations and selected monovalent anions for atoms with Z = 3–112

Unsaturated Sulfur Crown Ethers Can Extract Mercury(II) and Show Promise for Future Copernicium(II) Studies: A Combined Experimental and Computational Study

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