Article Dans Une Revue Chemical Communications Année : 2024

Is the protactinium(V) mono-oxo bond weaker than what we thought?

Résumé

The bond distance is the simplest and most obvious indicator of the nature of a given chemical bond. However, for rare chemistry, it may happen that it is not yet firmly established. In this communication, we will show that the formally-triple protactinium(V) mono-oxo bond is predicted longer than what was previously reported in the solid state and in solution, based on robust quantum mechanical calculations, supported by an extensive methodological study. Furthermore, additional calculations are used to demonstrate that the Pa-Ooxo bond of interest is more sensitive to complexation than the supposedly analogous U-Oyl ones, not only in terms of bond distance but also of finer bond descriptors associated with the effective bond multiplicity.

Fichier principal
Vignette du fichier
PaObond-ChemComm-Accepted.pdf (5.85 Mo) Télécharger le fichier
Origine Fichiers éditeurs autorisés sur une archive ouverte
Licence

Dates et versions

hal-04690060 , version 1 (10-10-2024)

Licence

Identifiants

Citer

Tamara Shaaban, Hanna Oher, Jean Aupiais, Julie Champion, André Severo Pereira Gomes, et al.. Is the protactinium(V) mono-oxo bond weaker than what we thought?. Chemical Communications, 2024, 60, pp.14376-14379. ⟨10.1039/D4CC04522J⟩. ⟨hal-04690060⟩
600 Consultations
216 Téléchargements

Altmetric

Partager

  • More