513.001 Molecular and Solid State Physics

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Wolfram Alpha

Physical
Constants

Periodic System
of Elements

      

Aromatic stabilization

Aromatic molecules are substances which are chemically unreactive. In this exercise, we will compare the prototypical aromat benzene with its linear chain equivalent, 1,3,5-hexatriene (shown in the picture below).

Use Hückel theory to calculate the total energies of both molecules. Which one is lower?

Calculate and compare the energy difference between the higest occupied molecular orbital and the lowest unoccupied molecular orbtial for both molecules.