Electronic Density Distribution in Lithium Hydride

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Abstract
The electronic density distribution in lithium hydride has been studied, and compared to the two hypothetical situations of the free atoms and the free ions (Li+ and H−) at the equilibrium separation. It is found that these two models are very much the same in the case of LiH, because of the natures of the entities which are involved. It is proposed that the molecule can best be viewed as being made up of a lithium ion and a polarized hydrogen atom, with the fourth electron partly concentrated on the outer side of the lithium nucleus and partly spread out in a diffuse manner around and beyond the hydrogen nucleus.