Ion Binding Site Structure and the Role of Water in Alkaline Earth EDTA Complexes

The interactions between molecular hosts and ionic guests and their dependence on the chemical environment are challenging to disentangle from solution data alone. The vibrational spectra of cold complexes of ethylenediaminetetraacetic acid (EDTA) chelating alkaline earth dications in vacuo encode structural characteristics of these complexes and their dependence on the size of the bound ion.