ANIONS OF POLAR MOLECULES INVOLVING ALKALI METALS
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Publisher:Ohio State University
In order to investigate the nature of the binding of electrons to polar molecules we have performed ab initio calculations on LiH, LiF, NaH, BeO, and their anions. The anions are predicted to be stable and our calculated vertical electron affinities of the parent molecules are 0.30, 0.46, 0,36, and 1.77 eV for LiH, LiF, NaH, and BeO respectively, It is demonstrated that electron correlation effects are small in the binding of electrons to these polar molecules since the extra electron occupies a predominantly nonbonding orbital on the electropositive atom.""
Author Institution: Department of Chemistry, University of Utah; Department of Engineering and Applied Science, Yale University
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