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Helical Electronic Transitions of Spiroconjugated Molecules

preprint
revised on 30.03.2021, 17:22 and posted on 31.03.2021, 05:40 by Marc Hamilton Garner, Clemence Corminboeuf

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.

Funding

Independent Research Fund Denmark, case no. 9056-00009B

History

Email Address of Submitting Author

marc.garner@epfl.ch

Institution

Laboratory for Computational Molecular Design, Ecole Polytechnique Federale de Lausanne (EPFL)

Country

Switzerland

ORCID For Submitting Author

0000-0002-7270-8353

Declaration of Conflict of Interest

No conflict of interest.

Version Notes

Manuscript has been rewritten since previous version.

Exports