Ammoniated solvation of excess electrons on molecular surfaces

As previously asserted, we have proposed a set of hypothetical molecular surfaces that possessed an extended hydrogen‐bonded network on one of the sides and hydrogen atoms on the opposite side. The uneven distribution of the OH groups (which increases the total dipole moment of the system) coupled to the partial positive charge of the hydrogen atoms creates charge pockets capable of trapping excess electrons. In this work we consider the ability of ammonia (NH₃) in solvating excess electrons in charge pockets on molecular surfaces. The anions are stable with respect to vertical electron detachment, and serve as another example by which electrons can be solvated on molecular surfaces. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008