Partnership of gas-phase core and valence photoelectron spectroscopy. [Ultraviolet photoelectron spectroscopy; x-ray photoelectron spectroscopy]

Journal Article · Sat Oct 01 04:00:00 EDT 1983 · Acc. Chem. Res.; (United States)

DOI:https://doi.org/10.1021/ar00094a002· OSTI ID:5557854

Jolly, W L

The localized orbital ionization potential (LOIP), involving both core and valence ionization potentials, is a valuable aid in the assignment of valence-photoelectron spectra. Its primary value is to provide chemists with a reliable method for interpreting valence-shell ionization potentials in terms of the bonding or antibonding character of molecular orbitals. Typical applications are the determination of the degree of interaction of so-called lone-pair orbitals (mainly consisting of p or d orbitals) either with filled orbitals (bond breaking orbitals or other lone pairs) or with empty orbitals (antibonding orbitals or higher energy d orbitals). This method allows chemists to make these interpretations using only experimental data, free from most of the calculational problems and interpretive ambiguities associated with theoretical methods. 2 figures, 8 tables.

• Research Organization: Univ. of California, Berkeley
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 5557854
• Journal Information: Acc. Chem. Res.; (United States), Journal Name: Acc. Chem. Res.; (United States) Vol. 16:10; ISSN ACHRE
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400104 -- Spectral Procedures-- (-1987)
400201 -- Chemical & Physicochemical Properties
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
BINDING ENERGY
DOCUMENT TYPES
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ENERGY
ENERGY-LEVEL TRANSITIONS
EXCITATION
FLUIDS
GASES
HALOGENATED ALIPHATIC HYDROCARBONS
HYDROCHLORIC ACID
HYDROGEN COMPOUNDS
INORGANIC ACIDS
IODINATED ALIPHATIC HYDROCARBONS
IONIZATION POTENTIAL
METHYL IODIDE
MOLECULAR ORBITAL METHOD
MOLECULAR STRUCTURE
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC IODINE COMPOUNDS
OXYGEN COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
REVIEWS
SPECTROSCOPY
USES
VALENCE
WATER