B calculate the energy in ev for the first excited

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Unformatted text preview: What is the predicted wavelength of light that corresponds to the first excited state transition for this molecule? This value should be noticeably different from the literature value of 480 nm – account for this deviation from the literature value. b. Calculate the energy in eV for the first excited state transition for each of the three 6 pi electron aromatic systems: cyclopentadienyl anion (C5H5- ), benzene (C6H6), and tropylium cation (C7H7+). What trend do you observe for these three compounds with regards to the values you calculated? c. Naphthalene can be approximated as a two- dimensional particle in a box with 10 pi electrons. The width of the “box” is about 2.8 angstroms, and the length is about 3.5 angstroms. i. Determine nx and ny for the first excited state of the system. To help with ordering the energies of different quantum states, focus only on the (nx2/Lx2 + ny2/Ly2) term. ii. Predict the excitation wavelength for the system and compare it...
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