Define advanced extended huckel method

Reference no: EM13194105

Using the PM3 semiempirical method in HyperChem, treat planar napthalene. First build the molecule, choose SemiEmpirical methods and PM3, and perform a Geometry Optimization. Look in the "Compute>Orbitals" menu to determine the energies of the HOMO and LUMO.

What is the wavenumber in cm-1 for the HOMO to LUMO transition predicted by PM3?
cm-1

Think about what region of the spectrum this would occur in.

What value of ? can you infer, that would bring the HMO method into agreement with the more advanced Extended Huckel method?

Reference no: EM13194105

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