Bonding in FHF~-,(HF)_2,and FHF

摘要

Bonding in FHF~-,(HF)_2,and FHF is compared from the molecular orbital and electrostatic bonding viewpoint.The electrostatic force is dominant in the formation of FHF~- and HF dimer.Exchange repulsion dominates in preventing the formation of FHF and leads to a D_(infinityh),transition state for H exchange.At the D_(infinityh) stationary points for FHF~- and FHF the electronic structure can be understood using delocalized symmetry orbitals,but this delocalization is not the primary driving force along the potential energy surface leading to these structures.