Stability and structure of cationic sodium hydroxide clusters

We present combined experimental and theoretical studies of cationic sodium hydroxide clusters. The stability of Na+(NaOH)n, n = 4–26, is investigated observing the unimolecular dissociation channels and measuring the unimolecular decays. Ground electronic state geometries and binding energies are obtained using Born–Oppenheimer local spin density molecular dynamics calculations for n = 1–7. The observed dissociation channels are discussed in the light of the calculated dissociation energies, showing that dynamics effects should play a role in the fragmentation process.