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.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry