Bonding in FHF- (HF)2, and FHF

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. (C) 2004 Wiley Periodicals, Inc.