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Hueckel Theory. We discuss the effect of replacing one carbon atom of cyclopentadien by oxygen to make the furan molecule. In this problem, either use
Hueckel Theory. We discuss the effect of replacing one carbon atom of cyclopentadien by oxygen to make the furan molecule. In this problem, either use software or a calculator to get eigenvalues and eigenvectors.
a Write down the Huckel Hamiltonian for cyclopentadien and for furan in terms of parameters and where we have assumed that
b Reasonable choices for these parameters are kca and Justify why these choices are or are not reasonable.
c Solve for the eigenvalues of both systems. Make plots of the energy diagrams for cyclopentadien and furan side by side.
d Explain why we did or did not need to know the value of to properly obtain the energy level diagrams above.
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