Lithium Ethylene Dicarbonate Identified as the Primary Product ofChemical and Electrochemical Reduction of EC in EC:EMC/1.2M LiPF6Electrolyte

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Lithium ethylene dicarbonate (CH2OCO2Li)2 was chemically synthesized and its Fourier Transform Infrared (FTIR) spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2M lithium hexafluorophosphate(LiPF6)/ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important ... continued below

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Zhuang, Guorong V.; Xu, Kang; Yang, Hui; Jow, T. Richard & RossJr., Philip N. May 11, 2005.

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Lithium ethylene dicarbonate (CH2OCO2Li)2 was chemically synthesized and its Fourier Transform Infrared (FTIR) spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2M lithium hexafluorophosphate(LiPF6)/ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established based on analysis of the IR spectrum.

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  • Journal Name: Journal of Physical Chemistry B; Journal Volume: 109; Journal Issue: 37; Related Information: Journal Publication Date: 2005

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  • Report No.: LBNL--57579
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 860350
  • Archival Resource Key: ark:/67531/metadc777086

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  • May 11, 2005

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  • Dec. 3, 2015, 9:30 a.m.

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  • April 1, 2016, 8:13 p.m.

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Zhuang, Guorong V.; Xu, Kang; Yang, Hui; Jow, T. Richard & RossJr., Philip N. Lithium Ethylene Dicarbonate Identified as the Primary Product ofChemical and Electrochemical Reduction of EC in EC:EMC/1.2M LiPF6Electrolyte, article, May 11, 2005; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc777086/: accessed August 16, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.