Design and synthesis of benzothiadiazole-based molecular systems: self-assembly, optical and electronic properties


Por: Miranda-Olvera, Montserrat, Arcos-Ramos, Rafael, Maldonado-Dominguez, Mauricio, Salmon, Lionel, Molnar, Gabor, Bousseksou, Azzedine, del Pilar Carreon-Castro, Maria

Publicada: 14 mar 2022
Resumen:
A set of small benzothiadiazole (BTD)-based derivatives with a D-A-D architecture were synthesized and characterized as building blocks of organic semiconducting materials by applying an experimental-theoretical approach. The four derivatives tend to self-assemble into highly ordered crystalline solids, with varying degrees of responsiveness to mechanical and thermal stimuli. The featured derivatives exhibit absorption maxima in solution and molar extinction coefficient values related to pi-pi* electronic transitions with minor solvatochromic responses, displaying broad fluorescence profiles with large Stokes shifts and high fluorescence quantum yields. In the solid-state, the BTD derivatives display absorption maxima in the visible range and intense fluorescence emission of the n-butoxy and fluorene derivatives. The stability of the one-electron reduced and oxidized forms of all compounds was assessed by means of cyclic voltammetry, which complemented by DFT calculations allowed the identification of one BTD derivative (BuO-BTD) as a strong candidate for use as an electron transport layer in organoelectronic devices.

Filiaciones:
Miranda-Olvera, Montserrat:
 Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Dept Quim Radiac & Radioquim, Ciudad De Mexico 04510, Mexico

 Lab Chim Coordinat, CNRS UPR 8241, 205 Route Narbonne, F-31077 Toulouse, France

Arcos-Ramos, Rafael:
 Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Dept Quim Radiac & Radioquim, Ciudad De Mexico 04510, Mexico

Maldonado-Dominguez, Mauricio:
 Czech Acad Sci, J Heyrovsky Inst Phys Chem, Dolejskova 2155-3, Prague 182238, Czech Republic

Salmon, Lionel:
 Lab Chim Coordinat, CNRS UPR 8241, 205 Route Narbonne, F-31077 Toulouse, France

Molnar, Gabor:
 Lab Chim Coordinat, CNRS UPR 8241, 205 Route Narbonne, F-31077 Toulouse, France

Bousseksou, Azzedine:
 Lab Chim Coordinat, CNRS UPR 8241, 205 Route Narbonne, F-31077 Toulouse, France

del Pilar Carreon-Castro, Maria:
 Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Dept Quim Radiac & Radioquim, Ciudad De Mexico 04510, Mexico
ISSN: 11440546
Editorial
Royal Society of Chemistry, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND, Reino Unido
Tipo de documento: Article
Volumen: 46 Número: 11
Páginas: 4992-5001
WOS Id: 000754547000001