Evidence of sharp transitions between octahedral and capped trigonal prism states of the solvation shell of Fe${}^{+3}$(aq)

Amrita Goswami, Alejandro Peña-Torres, Elvar Ö. Jónsson +2

The structure of the solvation shell of aqueous Fe${}^{+3}$ ion has been a subject of controversy due to discrepancies between experiments and different levels of theory. We address…