THE PREPARATION AND IDENTIFICATION OF SOME INTERMETALLIC COMPOUNDS OF POLONIUM<sup>1</sup>

Witteman, W. G.; Giorgi, A.L.; Vier, D.T.

doi:10.1021/j100833a014

Cited by 82 publications

(14 citation statements)

References 1 publication

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…This suggests existence of more "exotic" chalcogenides in this family. Comparison of bond lengths in sphalerite-type MTe and MPo compounds (M = Be, Zn, Cd [26][27][28][29]) reveals d(M-Po) ≈ d(M-Te) + 0.1Å. This yields the estimate bond lengths of d(Cu-Po) ≈ 2.8Å and d(Ag-Po) ≈ 3Å which coincide very well with the limiting values calculated above.…”

Section: The Variations Of T-ch Bonds Among Laotch Srftch (T = Cu Asupporting

confidence: 83%

Preparation and crystal structures of novel LaOAgS-type copper and silver fluoride chalcogenides

Charkin

Urmanov

Казаков

2012

Journal of Alloys and Compounds

View full text Add to dashboard Cite

Section: The Variations Of T-ch Bonds Among Laotch Srftch (T = Cu Asupporting

confidence: 83%

Preparation and crystal structures of novel LaOAgS-type copper and silver fluoride chalcogenides

Charkin

Urmanov

Казаков

2012

Journal of Alloys and Compounds

View full text Add to dashboard Cite

“…These conclusions are consistent with the identification of PoPb as a stable molecule which evaporates from both LBE and Pb-Li eutectic [58,9,4] and with the recent hypothesis of PoO being formed near the LBE [18]. In literature, PoH was not yet considered to be present near the LBE.…”

supporting

confidence: 88%

Binary and ternary Po-containing molecules relevant for LBE cooled reactors at operating temperature

Deyne

Rijpstra

Waroquier

et al. 2015

Journal of Nuclear Materials

View full text Add to dashboard Cite

Quantum-chemical calculations at several levels of theory were used to assess the stability at different temperatures of a set of 13 binary and ternary Pocontaining molecules that could possibly be formed in an environment with lead, bismuth, oxygen and water. These are conditions that are relevant for a heavy liquid metal cooled fission reactor. The conclusions are that especially PoPb, PbPoO and PoOH and to a lesser extent Po 2 and PoO are stable. These small molecules are likely to be found near the Lead-Bismuth-Eutectic (LBE) coolant at operational temperatures. In contrast Po 3 and PoBi are unlikely to be present under the assumed conditions. Several stability criteria, such as the dissociation into free atoms or into molecular fragments at realistic Poconcentrations or in the thermodynamic limit are discussed at different temperatures. The results obtained with a medium level of theory (Density Functional Theory, PBE0 with Relativistic Effective Core Potentials) show good qualitative correspondence with calculations performed at a much higher level of theory (Multi Reference Configuration Interaction, with spin-orbit coupling and scalar relativistic Hamiltonian). This makes the medium level of theory to be a fair alternative, for obtaining at least qualitative insight, for a high level calculation method which is unfeasible for much larger systems.

show abstract

“…In some papers polonium is assumed to be present as PbPo in the LBE phase [18] as it forms a stable compound with lead [19]. However, the presence of discrete diatomic molecules in a metallic melt seems questionable.…”

Section: Discussionmentioning

confidence: 99%

Alkaline extraction of polonium from liquid lead bismuth eutectic

Heinitz¹,

Neuhausen²,

Schumann³

2011

Journal of Nuclear Materials

View full text Add to dashboard Cite

THE PREPARATION AND IDENTIFICATION OF SOME INTERMETALLIC COMPOUNDS OF POLONIUM¹

Cited by 82 publications

References 1 publication

Preparation and crystal structures of novel LaOAgS-type copper and silver fluoride chalcogenides

Preparation and crystal structures of novel LaOAgS-type copper and silver fluoride chalcogenides

Binary and ternary Po-containing molecules relevant for LBE cooled reactors at operating temperature

Alkaline extraction of polonium from liquid lead bismuth eutectic

Contact Info

Product

Resources

About

THE PREPARATION AND IDENTIFICATION OF SOME INTERMETALLIC COMPOUNDS OF POLONIUM1

Cited by 82 publications

References 1 publication

Preparation and crystal structures of novel LaOAgS-type copper and silver fluoride chalcogenides

Preparation and crystal structures of novel LaOAgS-type copper and silver fluoride chalcogenides

Binary and ternary Po-containing molecules relevant for LBE cooled reactors at operating temperature

Alkaline extraction of polonium from liquid lead bismuth eutectic

Contact Info

Product

Resources

About

THE PREPARATION AND IDENTIFICATION OF SOME INTERMETALLIC COMPOUNDS OF POLONIUM¹