The Electronic Structure of Superhalogens and Superalkalies

Abstract

Molecular systems with anomalous values of the first ionisation ptoentials or electron affinity have been examined. On thebasis of the results of calculations by the DV-Xα method it has been possible to relate the values of the electron affinity and thefirst ionisation potential to the characteristic features of the electronic structure of these compounds. The analysis carried outhas made it possible to distinguish two large classes of chemical compound: with an anomalously high electron affinity(superhalogens) and with anomalously low first ionisation potentials (superalkalies). Estimates of the maximum possibleelectron affinity of chemical compounds have been given, and ways of finding these systems have been outlined. Variouspossible manifestations of high electron affinity and low first ionisation potentials in the physicochemical properties ofsuperhalogens and superalkalies have been examined.The bibliography contains 133 references.