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Sökning: WFRF:(Jonsson Erlendur 1983) > (2013) > Solvate Structures ...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00003430naa a2200493 4500
001oai:research.chalmers.se:17bd0e91-9ae8-4b04-9a6f-f42558d78a7c
003SwePub
008171006s2013 | |||||||||||000 ||eng|
0247 a https://research.chalmers.se/publication/1762982 URI
0247 a https://doi.org/10.1021/jp309102c2 DOI
040 a (SwePub)cth
041 a engb eng
042 9 SwePub
072 7a art2 swepub-publicationtype
072 7a ref2 swepub-contenttype
1001 a Han, S. D.u North Carolina State University4 aut
2451 0a Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
264 c 2013-03-08
264 1b American Chemical Society (ACS),c 2013
520 a 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.
650 7a NATURVETENSKAPx Kemi0 (SwePub)1042 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciences0 (SwePub)1042 hsv//eng
653 a amorphous concentrated liquid
653 a properties
653 a ion batteries
653 a polymer electrolytes
653 a crown-ether
653 a ab-initio
653 a salt
653 a free graphite-electrodes
653 a electrochemical
653 a crystal-structure
653 a thermal-stability
7001 a Allen, J. L.u North Carolina State University4 aut
7001 a Jonsson, Erlendur,d 1983u Chalmers tekniska högskola,Chalmers University of Technology4 aut0 (Swepub:cth)erlendur
7001 a Johansson, Patrik,d 1969u Chalmers tekniska högskola,Chalmers University of Technology4 aut0 (Swepub:cth)jpatrik
7001 a McOwen, D. W.u North Carolina State University4 aut
7001 a Boyle, P. D.u North Carolina State University4 aut
7001 a Henderson, W. A.u North Carolina State University4 aut
7102 a North Carolina State Universityb Chalmers tekniska högskola4 org
7730 t Journal of Physical Chemistry Cd : American Chemical Society (ACS)g 117:11, s. 5521-5531q 117:11<5521-5531x 1932-7447x 1932-7455
8564 u http://dx.doi.org/10.1021/jp309102cy FULLTEXT
8564 8u https://research.chalmers.se/publication/176298
8564 8u https://doi.org/10.1021/jp309102c

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