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A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states†
Daniele Padula,Fabrizio Santoro,Gennaro Pescitelli
RSC Advances Pub Date : 04/11/2016 00:00:00 , DOI:10.1039/C6RA05500A
Abstract

Aggregates of chiral polythiophenes (PTs) show strong electronic circular dichroism (ECD) spectra with a unique vibronic structure. A computationally fast procedure, exploiting the quantum dynamics of the exciton-coupled electronic states of simple oligothiophene dimers as models of PT aggregates, is able to reproduce experimental vibronic ECD spectra of aggregated phases.

Graphical abstract: A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states
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