Non-Valence Anions of Pyridine and the Diazines.

The dipole-bound anions of pyridine, pyridazine, and pyrimidine are characterized using equation of motion coupled cluster singles and doubles calculations. These calculations predict that the anions of pyridine, pyrimidine and pyridazine are bound in the Born-Oppenheimer approximation by 0.05, 0.8, and 19.0 meV, respectively. The binding energies of pyrimidine and pyridazine are large enough that the anions will remain bound even when allowing for corrections to the Born-Oppenheimer approximation, while that of pyridine is a borderline case. We were unable to find a stable non-valence correlation-bound anion for pyrazine, which has a zero dipole moment.