A novel analysis of the chemical bonding pattern in the valence isoelectronic series of triatomic molecules O3, S3, SO2 and OS2 is reported. The analysis is based on examining the bond order matrix elements between the Oriented Localized Molecular Orbitals (OLMOs) that are localized on the three individual left (L), center (C) and right (R) atoms. The analysis indicates that there is a (L-C) and (C-R) p-bonding interaction and a (L-R) p-antibonding interaction. This finding supports the previously proposed "partial biradical" interpretation of these triatomic systems, which had recently been challenged.
Revised: July 23, 2019 |
Published: August 26, 2010
Citation
Glezakou V.A., S.T. Elbert, S.S. Xantheas, and K. Ruedenberg. 2010.Analysis of Bonding Patterns in the Valence Isoelectronic series O-3, S-3, SO2 and OS2 in Terms of Oriented Quasi-Atomic Molecular Orbitals.Journal of Physical Chemistry A 114, no. 33:8923-8931.PNNL-SA-73193.