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A joint experimental and theoretical determination of the structures of oxidized and reduced molecules
- A joint experimental and theoretical determination of the structures of oxidized and reduced molecules
- Kang, S[Kang, Sunwoo]; Park, MH[Park, Min Hee]; Lee, H[Lee, Hochun]; Han, YK[Han, Young-Kyu]
- DGIST Authors
- Lee, H[Lee, Hochun]
- Issue Date
- Electrochemistry Communications, 23, 83-86
- Article Type
- Caprolactam; Density Functional Calculation; Density Functional Theory; Electrochemical Experiments; Electrolyte; Electrolytes; Ethylene; Ethylene Carbonate; Experiments; Linear Chain; Molecules; One-Electron Oxidation; One-Electron Reductions; Oxidation; Practical Method; Reductive Decomposition; Ring Structures; Vinylene Carbonates; Voltammetry
- 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. © 2012 Elsevier B.V. All rights reserved.
- ELSEVIER SCIENCE INC
- Related Researcher
Electrochemistry Laboratory for Sustainable Energy(ELSE)
Lithium-ion batteries; Novel Materials for rechargeable batteries; Novel energy conversion;storage systems; Electrochemistry; 리튬이차전지; 이차전지용 신규 전극 및 전해액; 신규 에너지변환 및 저장 시스템; 전기화학
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- Department of Energy Science and EngineeringElectrochemistry Laboratory for Sustainable Energy(ELSE)1. Journal Articles
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