Twistable dipolar aryl rings as electric field actuated conformational molecular switches
Author:
Affiliation:
1. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computatcional (IQTCUB)
2. Universitat de Barcelona
3. 08028 Barcelona
4. Spain
5. Institució Catalana de Recerca i Estudis Avançats (ICREA)
Abstract
The electric field induced conformational response of a range of twistable dipolar aryl ring systems is studied using density functional theory based calculations. We assess which factors are most important for efficient molecular switching.
Funder
Generalitat de Catalunya
Ministerio de Ciencia e Innovación
Ministerio de Economía y Competitividad
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06549H
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