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

1951/04/01 by George C. Pimentel · 8 citations
Chemistry · #Molecular Spectroscopy and Structure #Mass Spectrometry Techniques and Applications #Inorganic Fluorides and Related Compounds

paper · doi:10.1063/1.1748245

openalex publication_date 1951/04/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/23

Abstract

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 of npσ halogen orbitals, and the 1s hydrogen 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.

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• Bifluoride [wikipedia]
• Noble gas [wikipedia]
• Three-center four-electron bond [wikipedia]