4-Dimethylamino-4′-nitrostilbene (DANS), a π-conjugated push-pull molecule, has been investigated by means of a combined spectroscopic and computational approach. When the Raman excitation is close to the visible electronic transition of DANS, vibrational bands not belonging to DANS appear in the spectra, increasing with the laser power. These bands are observed at room temperature in the solid phase, but not at low temperature or in solution, and we interpret them as due to a thermally-activated photoreaction occurring under laser irradiation in the visible spectral region. Density-functional calculations correctly reproducing the electronic and vibrational spectra of DANS, describe the charge-transfer process, indicate that an azo-derivative is the product of the photoreaction of DANS and provide a reasonable interpretation of this process.

Spectroscopic and DFT investigation on the photo-chemical properties of a push-pull chromophore: 4-Dimethylamino-4â ²-nitrostilbene / Muniz-Miranda, Francesco; Pedone, Alfonso; Muniz-Miranda, Maurizio. - In: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. - ISSN 1386-1425. - 190:(2018), pp. 33-39. [10.1016/j.saa.2017.08.072]

Spectroscopic and DFT investigation on the photo-chemical properties of a push-pull chromophore: 4-Dimethylamino-4′-nitrostilbene

Muniz-Miranda, Francesco;Pedone, Alfonso;
2018

Abstract

4-Dimethylamino-4′-nitrostilbene (DANS), a π-conjugated push-pull molecule, has been investigated by means of a combined spectroscopic and computational approach. When the Raman excitation is close to the visible electronic transition of DANS, vibrational bands not belonging to DANS appear in the spectra, increasing with the laser power. These bands are observed at room temperature in the solid phase, but not at low temperature or in solution, and we interpret them as due to a thermally-activated photoreaction occurring under laser irradiation in the visible spectral region. Density-functional calculations correctly reproducing the electronic and vibrational spectra of DANS, describe the charge-transfer process, indicate that an azo-derivative is the product of the photoreaction of DANS and provide a reasonable interpretation of this process.
2018
5-set-2017
190
33
39
Spectroscopic and DFT investigation on the photo-chemical properties of a push-pull chromophore: 4-Dimethylamino-4â ²-nitrostilbene / Muniz-Miranda, Francesco; Pedone, Alfonso; Muniz-Miranda, Maurizio. - In: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. - ISSN 1386-1425. - 190:(2018), pp. 33-39. [10.1016/j.saa.2017.08.072]
Muniz-Miranda, Francesco; Pedone, Alfonso; Muniz-Miranda, Maurizio
File in questo prodotto:
File Dimensione Formato  
art92.pdf

Accesso riservato

Descrizione: art92
Tipologia: Versione pubblicata dall'editore
Dimensione 1.06 MB
Formato Adobe PDF
1.06 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
Pubblicazioni consigliate

Licenza Creative Commons
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1152431
Citazioni
  • ???jsp.display-item.citation.pmc??? 5
  • Scopus 13
  • ???jsp.display-item.citation.isi??? 12
social impact