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.
Padula, D., Santoro, F., Pescitelli, G. (2016). A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states. RSC ADVANCES, 6(44), 37938-37943 [10.1039/c6ra05500a].
A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states
Padula D.;Pescitelli G.
2016-01-01
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.
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https://hdl.handle.net/11365/1111472
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