Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 174775-48-5, Name is Ethyl 5-aminobenzofuran-2-carboxylate, SMILES is O=C(C1=CC2=CC(N)=CC=C2O1)OCC, in an article , author is Megala, M., once mentioned of 174775-48-5, SDS of cas: 174775-48-5.
Heteroaromatic rings as linkers for quercetin-based dye-sensitized solar cell applications: a TDDFT investigation
The electronic properties of quercetin (Q)-pi-cyanoacrylic acid (CNA) dye molecules using heteroaromatic rings, namely cyclopentadiene (F1), furan (F2), pyrrole (F3), thiophene (F4), oxazole (F5), imidazole (F6), thiazole (F7), isoindene (FF1), benzofuran (FF2), indole (FF3), benzothiophene (FF4), benzoxazole (FF5), benzimidazole (FF6), and benzothiazole (FF7), as pi-linkers are studied for the first time using Time-Dependent Density Functional Theory (TDDFT) with dimethyl sulfoxide (DMSO) as solvent to predict their excitation energy, absorption wavelength, oscillator strength, light harvesting efficiency, and exciton binding energy. The charge transfer and charge regeneration in the ground and excited states of the dyes are established. The photon to electron energy transfer from the dye (quercetin) to the semiconductor (TiO2) surface is analyzed based on intramolecular charge transfer. The results of the electron transfer studies on these newly designed dyes could be used to enhance the performance of resulting dye-sensitized solar cells.
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Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem