Cs+ contac ion-pairing between hexaniobates and hexatantalates
Computational studies ascertained more persistent Cs+–[Ta6O19] ion pairs than Cs+–[Nb6O19] ion pairs, and bond energy decomposition analyses determined relativistic effects to be the differentiating factor between the two. These distinctions are likely responsible for many of the unexplained differences between aqueous Nb and Ta chemistry, while they are so similar in the solid state.
This dataset derived results are published in:
Manuscript title: Cs+ contac ion-pairing between hexaniobates and hexatantalates