Spectroscopy and Structure of the Lithium Hydride Diatomic Molecules and Ions
All significant experimental measurements and many theoretical calculations of the spectroscopy and structure of the isotopic lithium hydrides ( 6LiH, 7LiH, 6LiD, 7LiD) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; re...
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Veröffentlicht in: | Journal of physical and chemical reference data 1993-01, Vol.22 (1), p.87-112 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | All significant experimental measurements and many theoretical calculations of the spectroscopy and structure of the isotopic lithium hydrides ( 6LiH, 7LiH, 6LiD, 7LiD) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; recommended spectroscopic constants for the X 1Σ+, A 1Σ+, and B 1Π states are tabulated. Potential energy curves (RKR, IPA, and hybrid) for the X 1Σ+, A 1Σ+, and B 1Π states are evaluated and recommended curves are tabulated. Dissociation energy estimates are evaluated and recommended D
0 and D
e
values tabulated for X 1Σ+, A 1Σ+, and B
1Π 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+ and LiH− are also listed and described briefly. |
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ISSN: | 0047-2689 1529-7845 |
DOI: | 10.1063/1.555936 |