Justification of the approximation that shifts in nonbonding valence orbital ionization potential are eight-tenths of shifts in core binding energy
Journal Article
·
· J. Phys. Chem.; (United States)
Empirical and theoretical data are cited to support the approximation that shifts in strictly nonbonding valence orbital ionization potential are eight-tenths of corresponding shifts in core binding energy. This approximation is shown to be useful in the quantification of the bonding and anitbonding character of molecular orbitals.
- Research Organization:
- Lawrence Berkeley Lab, CA
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6183569
- Journal Information:
- J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Journal Issue: 24 Vol. 86:24; ISSN JPCHA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400104* -- Spectral Procedures-- (-1987)
400201 -- Chemical & Physicochemical Properties
BINDING ENERGY
CHEMICAL SHIFT
CHLORINE COMPOUNDS
DATA
ENERGY
EXPERIMENTAL DATA
FLUORINE COMPOUNDS
HALOGEN COMPOUNDS
INFORMATION
IONIZATION POTENTIAL
NUMERICAL DATA
OXYGEN COMPOUNDS
400104* -- Spectral Procedures-- (-1987)
400201 -- Chemical & Physicochemical Properties
BINDING ENERGY
CHEMICAL SHIFT
CHLORINE COMPOUNDS
DATA
ENERGY
EXPERIMENTAL DATA
FLUORINE COMPOUNDS
HALOGEN COMPOUNDS
INFORMATION
IONIZATION POTENTIAL
NUMERICAL DATA
OXYGEN COMPOUNDS