Abstract A new triarylamine derivative, N,N0-Bis(4-heptanoylamidophenyl)-N,N0-di(4-methoxyphenyl)-1,4-phenylenediamine, with stable electrochromism in nearinfraredand visible light regions, has been synthesized andcharacterized at theoretical and experimental level. Thedetected and simulated spectra, with and without thepresence of an external potential at different values, clearlyshow that this mixed-valence system undergoes ionizationat a low value of the applied potential, and the formedradical cation absorbs in the near-infrared region with anintense peak located at 1,040 nm. Density functionalcomputations give the geometrical structure and absorptionproperties in very good agreement with experiment,allowing assigning the electronic transition and contributingto an understanding of the electron-transfer processbetween the two redox centers.

Theoretical and experimental investigation on the near-infrared and UV–vis spectral regions of a newly synthesized triarylamine electrochromic system

DE SIMONE, Bruna Clara;VELTRI, Lucia;CHIDICHIMO, Giuseppe;RUSSO, Nino
2012

Abstract

Abstract A new triarylamine derivative, N,N0-Bis(4-heptanoylamidophenyl)-N,N0-di(4-methoxyphenyl)-1,4-phenylenediamine, with stable electrochromism in nearinfraredand visible light regions, has been synthesized andcharacterized at theoretical and experimental level. Thedetected and simulated spectra, with and without thepresence of an external potential at different values, clearlyshow that this mixed-valence system undergoes ionizationat a low value of the applied potential, and the formedradical cation absorbs in the near-infrared region with anintense peak located at 1,040 nm. Density functionalcomputations give the geometrical structure and absorptionproperties in very good agreement with experiment,allowing assigning the electronic transition and contributingto an understanding of the electron-transfer processbetween the two redox centers.
Electrochromism, Density functional theory
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/20.500.11770/142464
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 15
  • ???jsp.display-item.citation.isi??? 11
social impact