Spectroscopy and structure of the lithium hydride diatomic molecules and ions

Journal Article · · Journal of Physical and Chemical Reference Data; (United States)

DOI:https://doi.org/10.1063/1.555936· OSTI ID:6609913

Stwalley, W C ^[1]; Zemke, W T ^[2]

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1. Univ. of Iowa, Iowa City (United States)
2. Wartburg College, Waverly, IA (United States)

All significant experimental measurements and many theoretical calculations of the spectroscopy and structure of the isotopic lithium hydrides ([sup 6]LiH, [sup 7]LiH, [sup 6]LiD, [sup 7]LiD) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; recommended spectroscopic constants for the [Chi] [sup 1][Sigma][sup +], [Alpha] [sup 1][Sigma][sup +] and [Beta] [sup 1][Pi] states are tabulated. Potential energy curves (RKR, IPA and hybrid) for the [Chi] [sup 1][Sigma][sup +], [Alpha] [sup 1][Sigma][sup +] and [Beta] [sup 1][Pi] states are evaluated and recommended curves are tabulated. Dissociation energy estimates are evaluated and recommended D[sub 0] and D[sub e] values tabulated for the [Chi] [sup 1][Sigma][sup +], [Alpha] [sup 1][Sigma][sup +] and [Beta] [sup 1][Pi] states. Accurate electronic structure calculations (Hartree Fock or better) on this workbench of theoretical chemistry are listed and described briefly; all excited electronic states considered are included. Experimental and theoretical radiative and dipole properties are noted and discussed. Adiabatic corrections to the Born-Oppenheimer approximation are also reviewed. Calculations on LiH[sup +] and LiH[sup [minus]] are also listed and described briefly. 302 refs., 2 figs., 22 tabs.

• OSTI ID: 6609913
• Journal Information: Journal of Physical and Chemical Reference Data; (United States), Journal Name: Journal of Physical and Chemical Reference Data; (United States) Vol. 22:1; ISSN 0047-2689; ISSN JPCRBU
• Country of Publication: United States
• Language: English

Related Subjects

664200* -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-)
664400 -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METAL COMPOUNDS
ALKALI METAL ISOTOPES
BORN-OPPENHEIMER APPROXIMATION
CALCULATION METHODS
CHARGED PARTICLES
DATA
DISSOCIATION ENERGY
ELECTRONIC STRUCTURE
ENERGY
EXPERIMENTAL DATA
HARTREE-FOCK METHOD
HYDRIDES
HYDROGEN COMPOUNDS
INFORMATION
IONS
ISOTOPES
LASER SPECTROSCOPY
LITHIUM COMPOUNDS
LITHIUM HYDRIDES
LITHIUM IONS
LITHIUM ISOTOPES
NUMERICAL DATA
POTENTIAL ENERGY
SPECTROSCOPY
THEORETICAL DATA