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Properties of oligothiophene polycations

Autor
Aradilla, D.; Aleman, C.
Tipus d'activitat
Article en revista
Revista
Journal of physical organic chemistry
Data de publicació
2014-11-01
Volum
27
Número
11
Pàgina inicial
867
Pàgina final
875
DOI
https://doi.org/10.1002/poc.3349 Obrir en finestra nova
Projecte finançador
INNOVACIO, MODELITZACIÓ I ENGINYERIA EN BIOMATERIALES (IMEM)
POLIMEROS CONDUCTORES Y SUS DERIVADOS HIBRIDOS CON APLICACIONES AVANZADAS
Repositori
http://hdl.handle.net/2117/24980 Obrir en finestra nova
URL
http://onlinelibrary.wiley.com/doi/10.1002/poc.3349/abstract;jsessionid=270AFFCF43F514DE6EFFE53E16097A68.f04t02 Obrir en finestra nova
Resum
The different electronic states of trications and tetracations have been studied for oligomers made of n 3,4-ethylenedioxythiophene units, where n ranges from 2 to 30. Results have been compared with those obtained for neutral, monodications and dications of the same n-oligomers. For the longer oligomer (n24) trications, the doublet and quartet states are isoenergetic, while the triplet and quintet states are isoenergetic for tetracations of the same length. Analysis of the geometry reveals thre...
Citació
Aradilla, D.; Aleman, C. Properties of oligothiophene polycations. "Journal of physical organic chemistry", 01 Novembre 2014, vol. 27, núm. 11, p. 867-875.
Paraules clau
4-ETHYLENEDIOXYTHIOPHENE), 4-dioxythiophene) polythiophene, CONDUCTING POLYMERS, DENSITY-FUNCTIONAL THEORY, DERIVATIVES, ELECTRONIC-PROPERTIES, EXCITED-STATES, PHOTOVOLTAIC PERFORMANCE, POLY(3, POLYACETYLENE, SINGLE, SOLAR-CELLS, conducting polymer, oxidized polymer, poly(3
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

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