Spectroscopy and Structure of the Lithium Hydride Diatomic Molecules and Ions

Abstract

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 D0 and De 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.