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Changes in electronic states of PEG by forming alkali metal complex (Conference Presentation)
Author(s): Nami Ueno; Yusuke Morisawa; Tomonari Wakabayashi

Paper Abstract

In this study, we notice on Alkali metal complex. They are composites from alkali metal salt and ether molecules. These complexes are very fascinate materials because they are one of the functional material. They have ion transportation ability and low vapor pressure etc. Many researches were reported, for example, Li+/Glyme as solvation ionic liquid and Li+/PEG as solid or gel electrolyte for Li+ ion batteries. They form complex between oxygen atom and Li+. However, electronic states about the complex which should reflect strength of coordinate bonding in them did not get clear in detail. We have investigated about changes in electronic transitions of these composite from PEG and Li by forming complex. Using Attenuated total reflectance spectroscopic in Far Ultra-violet region (ATR-FUV), electronic transitions in 140-200nm (FUV) can be observed easily. Electronic states of PEG were already studied by ATR-FUV. PEGs have 3 transitions about n – Rydberg transitions, 153nm, 163nm and 175nm were assigned to n (OH) – 3p Ryd, n (COC) – 3p and n (COC) – 3s Ryd respectively3. In this study, PEG and Lithium Bis (trifluoromethane sulfonyl) imide (LiTFSI) were investigated in wide range of concentration and also used various samples, for example cations (Li+, Na+, K+) and anions (BF4, PF6, NO3-, and trifluoromethane sulfonyl family etc.). Furthermore, simulation spectra from quantum calculation spectra by time dependent-density function theory (TD-DFT, cam-b3lyp/6-311++g (2d, p)) were investigated. Experimental and calculation results were compared to discuss changes in electronic states and these result.

Paper Details

Date Published: 9 September 2019
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Proc. SPIE 11086, UV and Higher Energy Photonics: From Materials to Applications 2019, 110860P (9 September 2019); doi: 10.1117/12.2529245
Show Author Affiliations
Nami Ueno, Kindai Univ. (Japan)
Yusuke Morisawa, Kindai Univ. (Japan)
(Japan)
Tomonari Wakabayashi, Kindai Univ. (Japan)
(Japan)


Published in SPIE Proceedings Vol. 11086:
UV and Higher Energy Photonics: From Materials to Applications 2019
Gilles Lérondel; Yong-Hoon Cho; Atsushi Taguchi; Satoshi Kawata, Editor(s)

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