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A joint experimental and theoretical determination of the structures of oxidized and reduced molecules

Title
A joint experimental and theoretical determination of the structures of oxidized and reduced molecules
Authors
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
2012-09
Citation
Electrochemistry Communications, 23, 83-86
Type
Article
Article Type
Article
Keywords
CaprolactamDensity Functional CalculationDensity Functional TheoryElectrochemical ExperimentsElectrolyteElectrolytesEthyleneEthylene CarbonateExperimentsLinear ChainMoleculesOne-Electron OxidationOne-Electron ReductionsOxidationPractical MethodReductive DecompositionRing StructuresVinylene CarbonatesVoltammetry
ISSN
1388-2481
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. © 2012 Elsevier B.V. All rights reserved.
URI
http://hdl.handle.net/20.500.11750/3338
DOI
10.1016/j.elecom.2012.07.011
Publisher
ELSEVIER SCIENCE INC
Related Researcher
  • Author Lee, Ho Chun Electrochemistry Laboratory for Sustainable Energy(ELSE)
  • Research Interests 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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Collection:
Energy Science and EngineeringElectrochemistry Laboratory for Sustainable Energy(ELSE)1. Journal Articles


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