(1S,4S)-Norbornenone has a surprisingly large specific rotation compared to similar molecules. Although it was inferred that the reason is related to the interaction of the C=O and C=C groups, a clear understanding of the physics behind this unusual behavior was missing. In this contribution, such understanding is provided through state-of-the-art excited state calculations, at density functional and coupled cluster levels of theory. Our results show the physical origin of the large specific rotation of this unusual molecule. Is this mystery finally solved?

(1S,4S)-Norbornenone: A mystery finally revealed?

244th National Meeting (2012)

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