Lithium provides a very simple example of the effect of oxidation state on overall size. Perform HF/6-31G*
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Lithium provides a very simple example of the effect of oxidation state on overall size. Perform HF/6-31G* calculations on lithium cation, lithium atom, and lithium anion, and compare the three electron density surfaces corresponding to enclosure of 99% of the total electron density. Which is smallest? Which is largest? How does the size of lithium relate to the number of electrons? Which surface most closely resembles a conventional space-filling model? What, if anything, does this tell you about the kinds of molecules that were used to establish the space-filling radius for lithium?
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