Diatomic dications and dianions

Abstract

Diatomic dications and dianions are attractive species for quantum chemists and spectroscopists. In comparison with neutral diatomics, these species show a wealth of potential behaviors arising mainly from the presence of residual Coulomb repulsion at the separated ions limit. Due to the stability of dications, numerous reports have been published on their potential curves, vibrational states, stability, and spectroscopic properties. In contrast, there are only a few reports on the stability and potential curves of dianions, since the strong correlation effects in dianions introduce some difficulties in the calculations of their potentials and properties, and perhaps, because they have not been observed in the laboratory due to their short lifetimes. In this review article, interesting subjects related to dications and dianions, the methods used to study their characteristics, and the achievements of these studies are described. Furthermore, the present research topics open on dications and dianions are reviewed. This report would thus serve researchers interested in the examination of quantum dynamical treatment on reactive scattering of ions and the laser-matter interactions and their subsequent phenomena such as vibrational wavepacket evolution, tunneling dissociation, vibronic coupling, and tunneling ionization for which dianions and dications can be regarded as prototypical species. © 2013 Iranian Chemical Society.