Charge transfer stabilization of an excess electron on a molecular surface

Abraham F. Jalbout*, Aned De Leon

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

In a developed molecular surface model (Jalbout and Adamowicz, Mol Phys, 2006, 19, 3101), we suggested a series of cyclohexane and cyclooctane systems with a hydrogen-bonded network of OH groups on one side of the surface and hydrogen atoms on the opposite side. The OH groups in this work increased the dipole moment of the complexes in order to form stable dipole bound anions. In this report we consider the dipole-bound and solvated anions between a set of hypothetical molecular surfaces and NH3BF3. The resulting complexes are stable with respect to vertical electron detachment.

Original languageEnglish
Pages (from-to)808-813
Number of pages6
JournalInternational Journal of Quantum Chemistry
Volume108
Issue number4
DOIs
StatePublished - 15 Mar 2008
Externally publishedYes

Keywords

  • AISE anions
  • Charge pockets
  • Charge transfer
  • Cluster anions
  • Dipole-bound electrons
  • Molecular surfaces
  • NHBF

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