Nature of S2Se2 σ(4c–6e) at naphthalene 1,8-positions and models, elucidated by QTAIM dual functional analysis

Abstract

The nature of BE–*–AE–*–AE–*–BE σ(4c–6e) is primarily elucidated at naphthalene 1,8-positions: while the weak covalent nature is predicted for all AE–*–AE, the HB nature with covalency or the CT-MC (MC formation through CT) nature is for AE–*–BE.