INVESTIGADORES
PICKHOLZ Monica Andrea
artículos
Título:
Interchain and correlation effects in oligothiophenes
Autor/es:
M. PICKHOLZ; M.C. DOS SANTOS
Revista:
SYNTHETIC METALS
Editorial:
Elsevier
Referencias:
Lugar: LAUSANNE, SWITZERLAND ; Año: 1999 vol. 101 p. 528 - 529
ISSN:
0379-6779
Resumen:
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 pi-dimers increases with the oligomer size and that the intermolecular interaction can be strong enough to allow an intermolecular charge separation.
