Issue 44, 2016
From the journal:

RSC Advances

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

Daniele Padula,a   Fabrizio Santoro*b  and  Gennaro Pescitelli*a  

* Corresponding authors

a Università di Pisa, Dipartimento di Chimica e Chimica Industriale Via G. Moruzzi 13, I-56124 Pisa, Italy
E-mail: gennaro.pescitelli@unipi.it

b Consiglio Nazionale delle Ricerche – CNR, Istituto di Chimica dei Composti Organo Metallici (ICCOM-CNR), UOS di Pisa, Via G. Moruzzi 1, I-56124 Pisa, Italy
E-mail: fabrizio.santoro@pi.iccom.cnr.it

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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Article information

DOI
https://doi.org/10.1039/C6RA05500A
Article type
Communication
Submitted
01 Mar 2016
Accepted
10 Apr 2016
First published
11 Apr 2016

RSC Adv., 2016,6, 37938-37943

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

D. Padula, F. Santoro and G. Pescitelli, RSC Adv., 2016, 6, 37938 DOI: 10.1039/C6RA05500A

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