DIPOLE-BOUND ANIONS OF ETHYLENE-GLYCOL DIMERS - THEORETICAL AB-INITIOSTUDY

Ab initio calculations have been performed to determine the electron a ffinity of the ethylene glycol molecule and its dimer. Although, as de termined, the glycol molecule has only a marginal ability to bind an e xcess electron, the three glycol H-bonded dimers, whose structures wer e found in the calculations, have much higher electron affinity values . In all cases the excess electron is bound by the dipole field of the complex. The attachment of the excess electron lowers the relative en ergy differences between the three complexes, making their coexistence more probable.