Helical Electronic Transitions of Spiroconjugated Molecules

31 March 2021, Version 3
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The two pi-systems of allene can mix into helical molecular orbitals (MOs), yet the helicity is lost in the pi-pi∗ transitions. In spiroconjugated molecules the relative orientation of the two π- systems is different as only half the pi-MOs become helical. Consequently, the helicity of the electronic transitions is symmetry protected and thus helical pi-conjugation can manifest in observable electronic and chiroptical properties.

Keywords

Helical molecular orbitals
Spiroconjugation
group theory
Electrohelicity
Optical Activity
Chiroptical Response

Supplementary materials

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