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research article

Helical electronic transitions of spiroconjugated molecules

Garner, Marc H.
•
Corminboeuf, Clemence  
May 27, 2021
Chemical Communications (ChemComm)

The two pi-systems of allene can combine into helical molecular orbitals (MOs), yet the helicity is lost in the pi-pi* transitions due to excited state mixing. In spiroconjugated molecules the relative orientation of the two pi-systems is different and consequently only half the pi-MOs become helical. We show that the helicity of the electronic transitions of methyl-substituted spiropentadiene is symmetry protected. As a result, helical pi-conjugation can manifest in observable electronic and chiroptical properties.

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Type
research article
DOI
10.1039/d1cc01904j
Web of Science ID

WOS:000657903800001

Author(s)
Garner, Marc H.
Corminboeuf, Clemence  
Date Issued

2021-05-27

Publisher

Royal Society of Chemistry

Published in
Chemical Communications (ChemComm)
Volume

57

Issue

52

Start page

6408

End page

6411

Subjects

Chemistry, Multidisciplinary

•

Chemistry

•

through-bond interaction

•

optical-activity

•

excited-states

•

orbitals

•

mobius

•

allenes

•

photoelectron

•

coarctate

•

chemistry

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCMD  
Available on Infoscience
June 19, 2021
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/178910
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