Lithium Ethylene Dicarbonate Identified as the Primary Product of Chemical and Electrochemical Reduction of EC in 1.2 M LiPF6/EC:EMC Electrolyte | Zendy

Guorong V. Zhuang | Zendy; Kang Xu | Zendy; Hui Yang | Zendy; T. Richard Jow | Zendy; Philip N. Ross | Zendy

Open Access

Lithium Ethylene Dicarbonate Identified as the Primary Product of Chemical and Electrochemical Reduction of EC in 1.2 M LiPF₆/EC:EMC Electrolyte

Author(s) -

Guorong V. Zhuang,

Kang Xu,

Hui Yang,

T. Richard Jow,

Philip N. Ross

Publication year - 2005

Publication title -

the journal of physical chemistry b

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.864

H-Index - 392

eISSN - 1520-6106

pISSN - 1520-5207

DOI - 10.1021/jp052474w

Subject(s) - ethylene carbonate , chemistry , electrolyte , lithium (medication) , dimethyl carbonate , ethylene , electrochemistry , ethylene glycol , cyclic voltammetry , inorganic chemistry , passivation , infrared spectroscopy , intermolecular force , lithium carbonate , molecule , organic chemistry , ion , methanol , ionic bonding , layer (electronics) , electrode , medicine , endocrinology , catalysis

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 1.2 M 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 the passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established on the basis of analysis of the IR spectrum.

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