Dipole-bound anions of adenine-water clusters. ab initio study

A. F. Jalbout, L. Adamowicz

Research output: Contribution to journalArticlepeer-review

48 Scopus citations

Abstract

An interesting configuration landscape has been predicted for dipole-bound (DB) anions of [adenine-(water),N] complexes for N = 1,2, and 3 using ab initio calculations. In these systems, the excess electron is bonded through the interaction with the dipole moment of the cluster. Since the DB electron affinities of adenine and water are practically zero, only if the water(s) dipole(s) aligns with the adenine dipole, the adenine ability to dipole-attach an excess electron can be sufficiently amplified to enable detection. This effect is investigated with the calculations.

Original languageEnglish (US)
Pages (from-to)1033-1038
Number of pages6
JournalJournal of Physical Chemistry A
Volume105
Issue number6
DOIs
StatePublished - Feb 15 2001

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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