Published April 1985 | Version v1
Journal article

Transition metal oxides - CrO, MoO, NiO, PdO, AgO

  • 1. NASA, Ames Research Center, Moffett Field, CA

Description

The transition-metal oxides are quite ionic; Mulliken population analyses for several oxides give a negative charge of about 0.7 electrons for oxygen. When the transition-metal d shell is only partially filled, the orbitals are involved in covalent bonds with O; both two-electron bonding (2)-antibonding (0) and one-electron bonding (2)-antibonding (1) bonds are formed. These covalent bonds occur in addition to the ionic bonding. There is d-sigma-O2 p sigma repulsion, and this repulsion is reduced when the d-sigma electron is promoted into an orbital which has dominantly 4sp-sigma character and is polarized away from O. 27 references

Additional details

Publishing Information

Journal Title
J. Chem. Phys.
Journal Volume
82
Series
J. Chem. Phys.
Journal Page Range
3265-3276
ISSN
0021-9606
CODEN
JCPSA