A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states
- Padula D.
- Santoro F.
- Pescitelli G.
DOIAbstract
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
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