화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.105, No.6, 1033-1038, 2001
Dipole-bound anions of adenine-water clusters. Ab initio study
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.