Question

Problem 1 Assume r-electrons in benzene can be modelled according to a 2D particle in box model. The box can be assumed square with the side of 5 Angstrom. Assume each C atom contributes only 1 electron. a) Sketch qualitatively the energy levels diagram for the up to 5 energy states (count degenerate states as one). b) Compute the HOMO-LUMO gap [in eV. c) How much do the conclusions above would change if we assume a non-zero thickness (e.g. 0.5 Angstrom) of the molecule?

Answer 1

SA The 2-D bon reduces to D bon we tnou ha 8mL

hu we haveTT electsons in benvenc 8mut mL 冫mL 63, 1-6, Enengi I,l 8 h 8mL loh 2 2h rm

3/ レニ5A 18 If we assume a non-zeroナtickness oF.the mleae then we oould have one deyee of Areedom and or moYe guankum no. hick ness ㄥ 2 吣.tn The dgenesncy ncre se The thme umo p ill decrease

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