Instability range of microsolvated multiply charged negative ions: Prediction from detachment energy of stable hydrated clusters

A. K. Pathak, A. K. Samanta, D. K. Maity, T. Mukherjee, and S. K. Ghosh
Phys. Rev. E 83, 021112 – Published 28 February 2011

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.

  • Received 6 September 2010

DOI:https://doi.org/10.1103/PhysRevE.83.021112

©2011 American Physical Society

Authors & Affiliations

A. K. Pathak*, A. K. Samanta, D. K. Maity, T. Mukherjee, and S. K. Ghosh

  • Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India

  • *akpathak@barc.gov.in
  • alokk@barc.gov.in
  • dkmaity@barc.gov.in

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Issue

Vol. 83, Iss. 2 — February 2011

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