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SPECTROSCOPY AND STRUCTURE OF THE LITHIUM HYDRIDE DIATOMIC-MOLECULES AND IONS
被引：161
作者：
STWALLEY, WC
ZEMKE, WT
机构：
[1] Center for Laser Science and Engineering, Departments of Chemistry, Physics and Astronomy, University of Iowa, Iowa City
[2] Department of Chemistry, Wartburg College, Waverly
关键词：
ALKALI HYDRIDE;
BORN-OPPENHEIMER APPROXIMATION;
DISSOCIATION ENERGY;
ELECTRONIC STRUCTURE CALCULATION;
ISOTOPE EFFECTS;
LIH;
LIH+;
LIH-;
POTENTIAL ENERGY CURVE;
SPECTROSCOPIC CONSTANT;
D O I：
10.1063/1.555936
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
All significant experimental measurements and many theoretical calculation the spectroscopy and structure of the isotopic lithium hydrides (LiH)-L-6, (LiH)-Li-7, (Li-6D), (Li-7D) are identified and reviewed. Published molecular constant determinations from conventional and laser spectroscopy are evaluated; recommended spectroscopic constants for the X 1SIGMA+, A 1SIGMA+ and B 1PI states are tabulated. Potential energy curves (RKR, IPA and hybrid) for the X 1SIGMA+ A 1SIGMA+ and B 1PI states are evaluated and recommended curves are tabulated. Dissociation energy estimates are evaluated and recommended D0 and D(e) values tabulated for the X 1SIGMA+, A 1SIGMA+ and B 1PI 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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页码：87 / 112
页数：26
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