Journal of Chemical Physics, Vol.115, No.8, 3469-3473, 2001
The influence of the detachment of electrons on the properties and the nature of interactions in X-H2O (X=Cl, Br) complexes
The theoretical study of anionic and neutral halogen-water complexes is presented. The detachment of an electron from an anion leads to drastic changes in the structure and thermodynamic properties. Two possible neutral isomers separated by transition state were located. It is suggested that different neutral species are observed in photoelectron and mass spectrometry experiments.