Can anions possess bound doubly-excited electronic states?

ABSTRACT: Anions play an important role in many fields of chemistry. Many molecules possess stable anions, but these anions often do not have stable electronic excited states and the anion loses its excess electron once excited. All the known stable valence excited states of anions are singly-excited states, i.e., valence doubly-excited states have not been reported. As excited states are relevant for numerous applications, and constitute basic properties, we searched for valence doubly-excited states which are stable, i.e., exhibit energies below that of the ground state of the respective neutral molecule. We concentrated on two promising prototype candidates, the anions of the smallest endocircular carbon ring Li@C₁₂ and of the smallest endohedral fullerene Li@C₂₀

SUBMITTER: Hou SJ 

PROVIDER: S-EPMC10321500 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature