Bi-dipole-bound anions

The possibility of electron binding by a molecule with two polar ends, each of which is capable of electron binding, is studied using electronic struc ture methods. The destabilizing effects of each dipole on the ability of th e other dipole to bind an electron as well as the through-bond splitting be tween the g and u anion states are examined. In addition, the ability of th e two polar ends to bind two electrons, one to each end, is investigated. N umerical results are presented for the anions of (HCN)(n)... HCCH ...(NCH)( n) (n = 2-4) and for the corresponding n = 2 dianion. (C) 2000 Elsevier Sci ence B.V.