Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders

Olga V. Sizova, Leonid V. Skripnikov, Alexander Yu Sokolov, Vladimir V. Sizov

Research output

14 Citations (Scopus)

Abstract

The atomic-orbital-symmetry based (AOSB) scheme for the decomposition of Mayer and Wiberg bond orders into σ-, π-, and δ-components is used to investigate different types of covalent bonds. Four series of compounds are studied: simple molecules with homonuclear bonds, inorganic molecules with polar heteronuclear bonds, [Ru(CN)5(XY)]q transition metal complexes with π-acceptor ligands, and dimetal complexes with multiple metal-metal bonds.

Original languageEnglish
Pages (from-to)2581-2590
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume109
Issue number11
DOIs
Publication statusPublished - 2009

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Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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