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|Type:||Artigo de periódico|
|Title:||Interchain And Correlation Effects In Oligothiophenes|
Dos Santos M.C.
|Abstract:||In the present work we present ab initio 3-21 G* calculations on oligothiophene pairs. Electronic correlation has been accounted for at MP2 level. Electronic structures of a series of bithiophene and terthiophene pairs were investigated as function of the intermolecular distance, for neutral and charged systems. The results indicate that the stability of π-dimers increases with the oligomer size and that the intermolecular interaction can be strong enough to allow an intermolecular charge separation.|
|Editor:||Elsevier Sequoia SA, Lausanne, Switzerland|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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