Infrared spectroscopy of Ca(NH3)n complexes

Infrared spectra of Ca(NH3)n complexes in the gas phase have been recorded for the first time. The spectra are consistent with structures where the Ca atom resides inside one or more solvation shells of NH3 molecules. IR spectra were recorded using a photodissociation technique. A comparison of the spectra with those predicted from ab initio calculations suggests that Ca(NH3)8 has all NH3 molecules in a single solvent shell around the Ca atom, whereas the spectra of Ca(NH3)9 and Ca(NH3)10 are consistent with two-shell structures.