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.
Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry