Electric Potential vs Bond Length
In order to find the HOMO of F2, Gamess quantum calculator determined that fluoride's ninth orbital domin,which was determined to be the highest orbital occupied by at least one electron due to valence considerations. As atoms approach one another potential energy drops due to the stabilizing effect chemical bonding has on molecules. 8+ angstrom essentially demonstrates two atoms at infinite distance, where around -200 Hartrees represents the zero energy of nonbonded atoms.
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Valence energy level diagram for F2. The highest occupied molecular orbital is 2p pi antibonding. The lowest unoccupied is the 2p sigma antibonding orbital.
Pictured is a model of the lowest
unoccupied molecular
orbital of the fluoride molecule. It is one energy level higher than that of the highest energy orbital occupied. by electrons. |