CNDO-model calculations on the hydration of monatomic ions Li+, Na+, F-, Cl- were performed. The hydration energies for the smaller ions (Li+ and F-) calculated with coordination number 4 agree well with the experimental data. The calculated energies for Na+ and Cl- are too small. This indicates a coordination number > 4.
|Number of pages||4|
|Journal||Chemical Physics Letters|
|State||Published - Aug 15 1970|