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 pi-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. (c) 2006 Elsevier B.V. All rights reserved.

Amadei, A., D'Abramo, M., Nola, A.D., Arcadi, A., Cerichelli, G., & Aschi, M. (2007). Theoretical study of intramolecular charge transfer in pi-conjugated oligomers. CHEMICAL PHYSICS LETTERS, 434, 194-199 [10.1016/j.cplett.2006.12.018].

Theoretical study of intramolecular charge transfer in pi-conjugated oligomers

AMADEI, ANDREA;
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 pi-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. (c) 2006 Elsevier B.V. All rights reserved.
Pubblicato
Rilevanza internazionale
Articolo
Sì, ma tipo non specificato
Settore CHIM/02 - Chimica Fisica
English
Charge transfer; Nanotechnology; Oligomers; Organic polymers; Intramolecular charge transfer; Molecular conformation; Perturbed matrix method; Molecular dynamics
Amadei, A., D'Abramo, M., Nola, A.D., Arcadi, A., Cerichelli, G., & Aschi, M. (2007). Theoretical study of intramolecular charge transfer in pi-conjugated oligomers. CHEMICAL PHYSICS LETTERS, 434, 194-199 [10.1016/j.cplett.2006.12.018].
Amadei, A; D'Abramo, M; Nola, A; Arcadi, A; Cerichelli, G; Aschi, M
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2108/23582
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