The chemistry of protactinium—VII The fluoro-complexes

Bukhsh, M.N.; Flegenheimer, J.; Hall, Ferris M.; Maddock, A. G.; Miranda, C. Ferreira de

doi:10.1016/0022-1902(66)80321-4

Cited by 30 publications

(9 citation statements)

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“…The PaF 2− 7 complex has been proved to predominate over a wide range of hydrofluoric acid concentration (from 10 −3 M to 4-8 M) [4]. This complex was unambiguously characterised for the first time in solids and in aqueous solutions [4,6,7]. The existence of a fluoro complex with maximum stoichiometry PaF 3− 8 has been demonstrated through the conductimetric titration of hydrated protactinium pentoxide with 0.55 N hydrofluoric acid [7].…”

Section: Introductionmentioning

confidence: 99%

“…This complex was unambiguously characterised for the first time in solids and in aqueous solutions [4,6,7]. The existence of a fluoro complex with maximum stoichiometry PaF 3− 8 has been demonstrated through the conductimetric titration of hydrated protactinium pentoxide with 0.55 N hydrofluoric acid [7]. At low HF concentration, i.e., <10 −3 M, less fluorinated complexes are present, but their domain of existence is very narrow.…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…The successive stepwise constants K 1 to K 8 were determined by potentiometry [7]. However, it was postulated that hydroxo complexes could be present for F/Pa ratios lower than three in the determination of K 1 to K 3 [7]. According to Bonnet et al, oxofluoro complexes are formed from PaOOH 2+ in acidic media of 1 < [H + ] < 3 M up to [F − ] ≈ 10 −4 M; above this concentration, the main species is HPaF − 7 [8].…”

Section: Introductionmentioning

confidence: 99%

“…Nonetheless, only a few theoretical studies of protactinium complexes have been performed [18][19][20][21]. Although structural simulations have already been conducted at 0 K on some of these fluoro complexes [7,16,22], no quantum molecular dynamics (QMD) results have been published. The relative stabilities of the species under ambient conditions have also not been determined.…”

Section: Introductionmentioning

confidence: 99%

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Quantum molecular dynamics investigations of protactinium (V) fluoro and oxofluoro complexes in solution

2021

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Quantum Molecular Dynamics simulations of protactinium (V) fluoro and oxofluoro complexes in solution were undertaken using density functional theory with generalised gradient approximation (and the ABINIT software package). The complexes were studied in the gas phase (at 0 K) and in solution (at 298 K) with water molecules as the solvent. We characterised all of the systems, taking into account their structures, dissociation energies, bond lengths and formation enthalpies in solution, and explained their relative stabilities. At ambient temperature, the hydrated species PaF 5, P a F 4 + $Pa{F}_{4}^{+}$ , P a O F 5 2 − $PaO{F}_{5}^{2-}$ , P a O F 4 − $PaO{F}_{4}^{-}$ and PaOF 3 were found to be the most stable (and to exhibit similar stabilities). The calculated formation enthalpies of the complexes are in close agreement with measurements made elsewhere.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%