Chemical Physics Letters, Vol.425, No.4-6, 283-288, 2006
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. (c) 2006 Elsevier B.V. All rights reserved.