Abstract
In a joint study involving electrochemical experiments and density functional calculations, we determined the oxidized and reduced structures of ethylene carbonate (EC), vinylene carbonate (VC), N-methyl-ε-caprolactam (Me-CL), and N-acetyl-ε-caprolactam (Ac-CL). This study reveals that the four molecules maintain their ring structures under the one-electron oxidation condition. Me-CL and Ac-CL have linear chain forms, whereas EC and VC still have ring-structures under the one-electron reduction condition. We suggest that such a collaborative study, including both experimentation and theory, is a simple and practical method for determining the structures of oxidized and reduced molecules.
Original language | English |
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Pages (from-to) | 83-86 |
Number of pages | 4 |
Journal | Electrochemistry Communications |
Volume | 23 |
Issue number | 1 |
DOIs | |
State | Published - Sep 2012 |
Keywords
- Caprolactam
- Density functional calculation
- Electrolyte
- Reductive decomposition
- Voltammetry