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

作者：Padula Daniele; Santoro Fabrizio^*; Pescitelli Gennaro^*

来源：RSC Advances, 2016, 6(44): 37938-37943.

DOI：10.1039/c6ra05500a

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 asmodels of PT aggregates, is able to reproduce experimental vibronic ECD spectra of aggregated phases.

• 出版日期2016