Combining Electrochemistry and Computational Chemistry to Understand Aryl-Radical Formation in Electrografting Processes
| العنوان: | Combining Electrochemistry and Computational Chemistry to Understand Aryl-Radical Formation in Electrografting Processes |
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| المؤلفون: | Alberto Hernández Creus, Pilar Carro, Miriam C. Rodríguez González |
| المصدر: | Journal of Chemical Education. 95:1386-1391 |
| بيانات النشر: | American Chemical Society (ACS), 2018. |
| سنة النشر: | 2018 |
| مصطلحات موضوعية: | Science instruction, Materials science, Aryl radical, 05 social sciences, 050301 education, 02 engineering and technology, General Chemistry, 021001 nanoscience & nanotechnology, Electrochemistry, Redox, Education, chemistry.chemical_compound, chemistry, Computational chemistry, Electrode, Surface modification, Density functional theory, Cyclic voltammetry, 0210 nano-technology, 0503 education |
| الوصف: | Surface modification has been considered as a fundamental item in upper-division undergraduate and master courses. Thus, the development of experiments regarding processes and characterization of surface-modification phenomena is highly desired. In this article, we propose an electrochemical and computational study of widely used surface-functionalization reactions. Electrochemistry was used as a tool to favor the reactions on a pencil tip, which acted as the electrode. By means of cyclic voltammetry, the reduction of two different precursors of grafting species was characterized. The differences observed in the electrochemical signal for both precursors were rationalized through thermodynamics parameters for the reduction reaction calculated by density functional theory (DFT). A theoretical value can be found with an acceptable error (around 12%) when compared with the electrochemical experimental difference. Consequently, a simple, economic, and complete practical and theoretical exercise is presented a... |
| تدمد: | 1938-1328 0021-9584 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::25e0e868f5f23a72149aeb0feb32c047 https://doi.org/10.1021/acs.jchemed.8b00147 |
| رقم الأكسشن: | edsair.doi...........25e0e868f5f23a72149aeb0feb32c047 |
| قاعدة البيانات: | OpenAIRE |
Find this issue from the American Chemical Society | تدمد: | 19381328 00219584 |
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