Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

Ab initio calculations have been performed to determine the relative stabilities and structures of small hydrogen cyanide polymers and their dipole-bound anions. It is predicted that while the formation of cyclic structures should dominate in the neutral environment, in the free-electron-rich environment linear clusters should be preferably formed.