Abstract
The CD spectra of (6R,15R)‐(+)‐6,15‐dihydro‐6,15‐ethanonaphtho [2,3‐c]pentaphene (DEP) and (7R,14R)‐(+)‐7,14‐dihydro‐7,14‐ethanondibenz [a,h] anthracene (DEA) are analyzed as dimers of anthracene and naphthalene, respectively. It is shown that vibronic coupling effects are essential in understanding the vibronic structure of CD spectra in these molecules. The simple molecular dimer model is shown to explain the main vibronic features of the CD spectra, but an extension of that model is needed to achieve good quantitative agreement between experimental and theoretical CD spectra for physically reasonable exciton and vibronic coupling parameters. This extended dimer model allows for a mixing of electronic states of monomers via electronic intermonomer interaction. It is shown that the CD spectrum of DEP locates the hidden 1Lb state of the anthracene molecule about 2150 cm−1 above the origin of the 1La state, and that these two states are electronically coupled in DEP. Only these two assumptions taken togeth...
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