2,1,3-Benzothiadiazole Small Donor Molecules: A DFT Study, Synthesis, and Optoelectronic Properties.
Molecules
; 26(5)2021 Feb 24.
Article
en En
| MEDLINE
| ID: mdl-33668393
ABSTRACT
We herein report the design and synthesis of small-donor molecules, 2,1,3-benzothiadiazole derivatives (2a-d), by Stille or Suzuki reaction. The synthesized compounds were characterized by spectroscopic and electrochemical methods. The compounds 2a-d absorb the light in a wide range (the UV-green/yellow light (2c)) and emit from green to red/near IR light (2c). Furthermore, these compounds show a narrow energy gap (1.75-2.38 eV), and high Ea values increasing for polymers, which prove their electron-donating nature and semiconductor properties. The measurements were enhanced by theoretical modeling.
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Banco de datos:
MEDLINE
Asunto principal:
Tiadiazoles
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Técnicas Electroquímicas
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Teoría Funcional de la Densidad
Idioma:
En
Año:
2021
Tipo del documento:
Article