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Solvate Structures ...
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Han, S. D.North Carolina State University
(författare)
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
- Artikel/kapitelEngelska2013
Förlag, utgivningsår, omfång ...
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2013-03-08
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American Chemical Society (ACS),2013
Nummerbeteckningar
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LIBRIS-ID:oai:research.chalmers.se:17bd0e91-9ae8-4b04-9a6f-f42558d78a7c
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https://research.chalmers.se/publication/176298URI
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https://doi.org/10.1021/jp309102cDOI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:art swepub-publicationtype
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Ämneskategori:ref swepub-contenttype
Anmärkningar
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Lithium difluoro(oxalato)borate (LiDFOB) is a relatively new salt designed for battery electrolyte usage. Limited information is currently available, however, regarding the ionic interactions of this salt (i.e., solvate formation) when it is dissolved in aprotic solvents. Vibrational spectroscopy is a particularly useful tool for identifying these interactions, but only if the vibrational bands can be correctly linked to specific forms of anion coordination. Single crystal structures of LiDFOB solvates have therefore been used to both explore the DFOB-center dot center dot center dot Li+ cation coordination interactions and serve as unambiguous models for the assignment of the Raman vibrational bands. The solvate crystal structures determined indude (monoglyme)(2):LiDFOB, (1,2-diethoxyethane)(3/2):LiDFOB, (acetonitrile)(3):LiDFOB, (acetonitrile)(1):LiDFOB, (dimethyl carbonate)(3/2):LiDFOB, (succinonitrile)(1):LiDFOB, (adiponitrile)(1):LiDFOB, (PMDETA)(1):LiDFOB, (CRYPT-222)(2/3):LiDFOB, and (propylene carbonate)(1):LiDFOB. DFT calculations have been incorporated to provide additional insight into the origin (i.e., vibrational modes) of the Raman vibrational bands to aid in the interpretation of the experimental analysis.
Ämnesord och genrebeteckningar
Biuppslag (personer, institutioner, konferenser, titlar ...)
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Allen, J. L.North Carolina State University
(författare)
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Jonsson, Erlendur,1983Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)erlendur
(författare)
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Johansson, Patrik,1969Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)jpatrik
(författare)
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McOwen, D. W.North Carolina State University
(författare)
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Boyle, P. D.North Carolina State University
(författare)
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Henderson, W. A.North Carolina State University
(författare)
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North Carolina State UniversityChalmers tekniska högskola
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Journal of Physical Chemistry C: American Chemical Society (ACS)117:11, s. 5521-55311932-74471932-7455
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