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Electronic characterization of all-thiophene conducting dendrimers: molecules and assemblies

Autor
Rodriguez, F.; Zanuy, D.; Aleman, C.
Tipus d'activitat
Article en revista
Revista
Polymer
Data de publicació
2010-01
Volum
51
Número
1
Pàgina inicial
308
Pàgina final
315
DOI
https://doi.org/10.1016/j.polymer.2009.11.007 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/7790 Obrir en finestra nova
URL
http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TXW-4XNF6GV-3&_user=1517299&_coverDate=01%2F06%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_searchStrId=1194786380&_rerunOrigin=google&_acct=C000053450&_version=1&_urlVersion=0&_userid=1517299&md5=fc0304130744b0561f292a6c4d13ab68 Obrir en finestra nova
Resum
The molecular and electronic structure of all-thiophene dendrimers in both the neutral and oxidized states have been investigated performing quantum mechanical calculations on systems of up to 30 rings. Results evidenced that the repulsive steric interactions between the neighboring thiophene rings induce significant distortions from the planarity independently of the electronic state. On the other hand, the ionization potential per thiophene ring and the lowest π-π* transition energy decrease...
Citació
Rodriguez, F.; Zanuy, D.; Alemán, C. Electronic characterization of all-thiophene conducting dendrimers: molecules and assemblies. "Polymer", Gener 2010, vol. 51, núm. 1, p. 308-315.
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