The Bonding of Trihalide and Bifluoride Ions by the Molecular Orbital Method

摘要

A simple molecular orbital treatment is presented to explain the bonding in trihalide ions, X3−, XY2−, and XYZ−, and bifluoride ion, HF2−. The M.O.'s are formed from linear combinations ofnp&sgr; halogen orbitals, and the 1shydrogen orbital and stable bonding M.O.'s are obtained without the introduction of higher atomic orbitals. Applications are suggested in prediction of other stable species and low energy reaction intermediates.