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Title: | Vibrational Spectroscopy and ab Initio Studies of Lithium Bis(oxalato)borate (LiBOB) in Different Solvents |
Authors: | Holomb, R.M. Xu, Wu Markusson, H. Johansson, P. Jacobsson, P. |
Keywords: | Raman spectroscopy, Li+BOB- ion |
Issue Date: | 2006 |
Abstract: | The effect of lithium ion coordination with the bis(oxalato)borate (BOB-) [B(C2O4)2]- anion in DMSO, PEG, PPG, and d-PPG has been studied in detail by IR and Raman spectroscopy. Ab initio calculations were performed to allow a consistent analysis of the experimental data. The main features observed in the IR and Raman spectra correspond to the presence of “free”, un-coordinated, BOB- anions. Only with use of d-PPG as solvent a small amount of Li+BOB- ion pairs were detected. The Raman spectra and the calculations together indicate that Li+ coordinates bidentately with two end-oxygen atoms of the BOB- anion. The identification of ion pairs can be used to reveal limitations of LiBOB based electrolytes. The results for LiBOB are compared with literature on other Li salts. |
Type: | Text |
Publication type: | Стаття |
URI: | https://dspace.uzhnu.edu.ua/jspui/handle/lib/4423 |
Appears in Collections: | Наукові публікації кафедри інформаційних управляючих систем та технологій |
Files in This Item:
File | Description | Size | Format | |
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11_PhysChemA-2006.pdf | 127.74 kB | Adobe PDF | View/Open |
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