In this Letter, we use the perturbed matrix method, in combination with molecular dynamics and statistical mechanics, in order to describe in details the electric field induced intramolecular charge transfer (ICT) in two π-conjugated oligomers of nanotechnological interest. Results show a relevant relationship between the extent of ICT and molecular conformation, pointing out the highly non-linear charge transfer field response. © 2006 Elsevier B.V. All rights reserved.
Theoretical study of intramolecular charge transfer in π-conjugated oligomers / Amadei, Andrea; D'Abramo, Marco; DI NOLA, Alfredo; Arcadi, Antonio; Cerichelli, Giorgio; Aschi, Massimiliano. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 434:4-6(2007), pp. 194-199. [10.1016/j.cplett.2006.12.018]
Theoretical study of intramolecular charge transfer in π-conjugated oligomers
AMADEI, andrea;D'ABRAMO, Marco;DI NOLA, Alfredo;ARCADI , ANTONIO;ASCHI, Massimiliano
2007
Abstract
In this Letter, we use the perturbed matrix method, in combination with molecular dynamics and statistical mechanics, in order to describe in details the electric field induced intramolecular charge transfer (ICT) in two π-conjugated oligomers of nanotechnological interest. Results show a relevant relationship between the extent of ICT and molecular conformation, pointing out the highly non-linear charge transfer field response. © 2006 Elsevier B.V. All rights reserved.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
