Working Paper
Authors
- Marc Hamilton Garner
Laboratory for Computational Molecular Design, Ecole Polytechnique Federale de Lausanne (EPFL) ,
- Clemence Corminboeuf
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.
Version notes
Manuscript has been rewritten since previous version.
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