title: Instability range of microsolvated multiply charged negative ions: prediction from detachment energy of stable hydrated clusters.
abstract: We have presented a first-principle theory-based derivation of an exact expression for the solvent number-dependent electron-detachment energy of a solvated species in the thermodynamic limit. We also propose a generalized equation bridging the electron detachment energies for small and infinitely large clusters, thus providing a new route to calculate the ionization potential of a negatively charged ion from the electron-detachment energies of its stable hydrated clusters. Most importantly, it has the ability to predict the instability range of microhydrated anions. The calculated results for the ionization potential for a number of ions are found to be in good agreement with the available experimental results, and the predicted instability range for the doubly charged anions SO₄²⁻ and C₂O₄²⁻ is also consistent with experimental and ab initio results.
authors.affiliation: Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India. akpathak@barc.gov.in
authors.forename: A K
authors.initials: AK
authors.lastname: Pathak
authors.forename: A K
authors.initials: AK
authors.lastname: Samanta
authors.forename: D K
authors.initials: DK
authors.lastname: Maity
authors.forename: T
authors.initials: T
authors.lastname: Mukherjee
authors.forename: S K
authors.initials: SK
authors.lastname: Ghosh
mesh_terms: D000838:Anions; D001704:Biopolymers / Q000737:chemistry*; D003198:Computer Simulation; D008956:Models, Chemical; D012997:Solvents / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D000838:Anions; D001704:Biopolymers; D012997:Solvents; D014867:Water