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Solvate Structures ...
Solvate Structures and Computational/Spectroscopic Characterization of LiBF4 Electrolytes
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- Seo, D. M. (författare)
- North Carolina State University
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- Boyle, P. D. (författare)
- North Carolina State University
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- Allen, J. L. (författare)
- North Carolina State University
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- Han, S. D. (författare)
- North Carolina State University
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- Jonsson, Erlendur, 1983 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Johansson, Patrik, 1969 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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- Henderson, W. A. (författare)
- Pacific Northwest National Laboratory,North Carolina State University
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(creator_code:org_t)
- 2014-07-31
- 2014
- Engelska.
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 118:32, s. 18377-18386
- Relaterad länk:
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http://dx.doi.org/10...
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https://doi.org/10.1...
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https://research.cha...
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Abstract
Ämnesord
Stäng
- Crystal structures have been determined for both LiBF4 and HBF4 solvates: (acetonitrile)(2):LiBF4, (ethylene glycol diethyl ether)(1):LiBF4, (diethylene glycol diethyl ether)(1):LiBF4, (tetrahydrofuran)(1):LiBF4, (methyl methoxyacetate)(1):LiBF4, (succinonitrile)(1):LiBF4, (N,N,N',N '',N ''-pentamethyldiethylenetriamine)(1):HBF4, (N,N,N',N'-tetramethylethylenediamine)(3/2):HBF4, and (phenanthroline)(2):HBF4. These, as well as other known LiBF4 solvate structures, have been characterized by Raman vibrational spectroscopy to unambiguously assign the anion Raman band positions to specific forms of BF4-center dot center dot center dot Li+ cation coordination. In addition, complementary DFT calculations of BF4-center dot center dot center dot Li+ cation complexes have provided additional insight into the challenges associated with accurately interpreting the anion interactions from experimental Raman spectra. This information provides a crucial tool for the characterization of the ionic association interactions within electrolytes.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
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