PES of higher temperature vapors: Lithium halide monomers and dimers

Journal Article · Sat Sep 15 04:00:00 EDT 1979 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.438619· OSTI ID:5880437

Berkowitz, J; Batson, C H; Goodman, G L

The He (I) photoelectron spectra of ''pure'' monomers and dimers of the lithium halides have been obtained by using a double-oven technique to vary the dimer:monomer ratio. The lithium halide monomer spectra conform nicely to a model based on spin--orbit and ligand field interactions previously introduced. The first ionization potentials of the dimers are in each case higher than in the corresponding monomers. These conclusions are also deduced in this paper by ionic model calculations and molecular calculations of the X-..cap alpha.. type, using the discrete variational method. The X-..cap alpha.. calculations enable us to assign tentatively the dimer valence bands. These calculations have been extended to trimer and tetramer structures and indicate an oscillation in the first ionization potential in the series encompassing monomer through tetramer. Some experimental verification exists up to trimer. The oscillatory behavior is also obtained in a crude ionic model calculation. An experimental method using photoionization mass spectrometry is suggested for the study of larger clusters and is tested for Na/sub 2/I/sub 2/.

• Research Organization: Argonne National Laboratory, Argonne, Illinois 60439
• OSTI ID: 5880437
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 71:6; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METAL COMPOUNDS
BROMIDES
BROMINE COMPOUNDS
CHLORIDES
CHLORINE COMPOUNDS
DIMERS
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
INORGANIC PHOSPHORS
IODIDES
IODINE COMPOUNDS
IONIZATION POTENTIAL
LITHIUM BROMIDES
LITHIUM CHLORIDES
LITHIUM COMPOUNDS
LITHIUM FLUORIDES
LITHIUM HALIDES
LITHIUM IODIDES
MONOMERS
PHOSPHORS
PHOTOELECTRON SPECTROSCOPY
SPECTROSCOPY
VERY HIGH TEMPERATURE