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Copper Coordination Study in a Metal-Induced Chiral Polythiophene Aggregate

Autor
Torras, J.; Aleman, C.
Tipus d'activitat
Article en revista
Revista
The journal of physical chemistry. Part C, nanomaterials and interfaces
Data de publicació
2014-05-08
Volum
118
Número
18
Pàgina inicial
9769
Pàgina final
9779
DOI
https://doi.org/10.1021/jp501118y Obrir en finestra nova
Projecte finançador
POLIMEROS CONDUCTORES Y SUS DERIVADOS HIBRIDOS CON APLICACIONES AVANZADAS
URL
http://pubs.acs.org/doi/abs/10.1021/jp501118y Obrir en finestra nova
Resum
The chiral regioregular polythiophene, poly[(R)-3-(4-(4-ethyl-2-oxazolin-2-yl)phenyl)-thiophene] (PEOPT), forms chiral aggregates in chloroform under copper salt presence, with chirality disappearing upon the addition of acetonitrile. We report here a comprehensive quantum mechanical study of intermolecular assembly adducts with a copper ion that may be involved in this switching process. Results indicate that copper adducts made of undissociated copper salt in chloroform prefer a syn-(EOPT)(2) ...
Paraules clau
ACTIVE REGIOREGULAR POLYTHIOPHENE, ASSEMBLIES, CHEMISTRY, COMPLEXES, DENSITY, ENERGIES, INDUCED SUPRAMOLECULAR CHIRALITY, INDUCTION, MOLECULAR CALCULATIONS, POTENTIALS
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
IMEM-BRT- Innovation in Materials and Molecular Engineering - Biomaterials for Regenerative Therapies

Participants