Solvate structures and spectroscopic characterization of litfsi electrolytes

Journal of Physical Chemistry B

Volumn 118, Issue 47, 2014, Pages 13601-13608

  Seo, Daniel M ^a   Boyle, Paul D ^b   Sommer, Roger D ^b   Daubert, James S ^a   Borodin, Oleg ^c   Henderson, Wesley A ^a,d  

^a North Carolina State University   (United States)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

^c U S ARMY RESEARCH LABORATORY   (United States)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; CRYSTALLINE MATERIALS; LITHIUM; NEGATIVE IONS; POSITIVE IONS; SULFUR DIOXIDE;

2 ,6-DIMETHYLPYRIDINE; BIS(TRIFLUOROMETHANE SULFONYL)IMIDE; CATION INTERACTIONS; CHARACTERIZATION TOOLS; CRYSTALLINE SOLVATES; RAMAN SPECTROSCOPIC; SPECTROSCOPIC CHARACTERIZATION; WIDE TEMPERATURE RANGES;

ELECTROLYTES;

EID: 84914154040     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp505006x     Document Type: Article

References (44)

1. 4 Phys. Chem. Chem. Phys. 2004, 6, 938-944
2. 4 Solvate Structures Phys. Chem. Chem. Phys. 2004, 6, 4260-4267
3. 4 Electrolytes J. Phys. Chem. C 2014, 118, 18377-18366
4. Han, S.-D.; Allen, J. L.; Jónsson, E.; Johansson, P.; McOwen, D. W.; Boyle, P. D.; Henderson, W. A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes J. Phys. Chem. C 2013, 117, 5521-5531
5. Brouillette, D.; Irish, D. E.; Taylor, N. J.; Perron, G.; Odziemkowski, M.; Desnoyers, J. E. Stable Solvates in Solution of Lithium Bis(trifluoromethylsulfone)imide in Glymes and Other Aprotic Solvents: Phase Diagrams, Crystallography and Raman Spectroscopy Phys. Chem. Chem. Phys. 2002, 4, 6063-6071
6. 2, A Novel Salt for Electrochemistry J. Mater. Chem. 1994, 4, 1579-1580
7. Johansson, P.; Gejji, S. P.; Tegenfeldt, J.; Lindgren, J. The Imide Ion: Potential Energy Surface and Geometries Electrochim. Acta 1998, 43, 1375-1379
8. Xue, L.; Padgett, C. W.; DesMarteau, D. D.; Pennington, W. T. Synthesis and Structures of Alkali Metal Salts of Bis[(trifluoromethyl)sulfonyl]imide Solid State Sci. 2002, 4, 1535-1545
9. 2 Determined by Powder Diffraction Using a Powerful Monte Carlo Approach Chem. Commun. (Cambridge, U. K.) 1996, 18, 2169-2170
10. Seo, D. M.; Borodin, O.; Han, S.-D.; Ly, Q.; Boyle, P. D.; Henderson, W. A. Electrolyte Solvation and Ionic Association I. Acetonitrile-Lithium Salt Mixtures: Intermediate and Highly Associated Salts J. Electrochem. Soc. 2012, 159, A553-A565
11. Seo, D. M.; Borodin, O.; Han, S.-D.; Boyle, P. D.; Henderson, W. A. Electrolyte Solvation and Ionic Association II. Acetonitrile-Lithium Salt Mixtures: Highly Dissociated Salts J. Electrochem. Soc. 2012, 159, A1489-A1500
12. Seo, D. M.; Borodin, O.; Han, S.-D.; Ly, Q.; Boyle, P. D.; Henderson, W. A. Electrolyte Solvation and Ionic Association. III. Acetonitrile-Lithium Salt Mixtures-Transport Properties J. Electrochem. Soc. 2013, 160, A1061-A1070
13. Henderson, W. A.; McKenna, F.; Khan, M. A.; Brooks, N. R. Young; Frech, R. Glyme-Lithium Bis(trifluoromethanesulfonyl)imide and Glyme-Lithium Bis(perfluoroethanesulfonyl)imide Phase Behavior and Solvate Structures Chem. Mater. 2005, 17, 2284-2289
14. 2N] Complexes with Cryptands or Crown Ether Solid State Ionics 2000, 133, 247-255
15. Davidson, M. G.; Raithby, P. R.; Johnson, A. L.; Bolton, P. D. Structural Diversity in Lewis-Base Complexes of Lithium Triflamide Eur. J. Inorg. Chem. 2003, 18, 3445-3452
16. McOwen, D. W.; Seo, D. M.; Borodin, O.; Boyle, P. D.; Henderson, W. A. Concentrated Electrolytes: Decrypting Electrolyte Properties and Reassessing Al Corrosion Mechanisms Energy Environ. Sci. 2014, 7, 416-426
17. 4 O, O ′: O : O ]dilithium] Acta Crystallogr. 2011, E67, m534-m534
18. Henderson, W. A.; Seo, D. M.; Zhou, Q.; Boyle, P. D.; Shin, J.-H.; De Long, H. C.; Trulove, P. C.; Passerini, S. An Alternative Ionic Conductivity Mechanism for Plastic Crystalline Salt-Lithium Salt Electrolyte Mixtures Adv. Energy Mater. 2012, 2, 8014-8019
19. 2] Chem. Commun. (Cambridge, U. K.) 1998, 9, 1011-1012
20. + Cation Solvate Structures: Models for Amorphous Concentrated Liquid and Polymer Electrolytes (I) Chem. Mater. 2003, 15, 4679-4684
21. -) J. Raman Spectrosc. 2005, 36, 762-770
22. 2NH (HTFSI) J. Phys. Chem. A 1998, 102, 3249-3258
23. Joost, M.; Kunze, M.; Jeong, S.; Schonhoff, M.; Winter, M.; Passerini, S. Ionic Mobility in Ternary Polymer Electrolytes for Lithium-Ion Batteries Electrochim. Acta 2012, 86, 330-338
24. - Anions Linking Structure to Transport Properties Chem. Mater. 2011, 23, 4331-4337
25. Kim, J.-K.; Matic, A.; Ahn, J.-H.; Jacobsson, P. An Imidazolium Based Ionic Liquid Electrolyte for Lithium Batteries J. Power Sources 2010, 195, 7639-7643
26. Umebayashi, Y.; Mori, S.; Fujii, K.; Tsuzuki, S.; Seki, S.; Hayamizu, K.; Ishiguro, S. Raman Spectroscopic Studies and Ab Initio Calculations on Conformational Isomerism of 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)amide Solvated to a Lithium Ion in Ionic Liquids: Effects of the Second Solvation Sphere of the Lithium Ion J. Phys. Chem. B 2010, 114, 6513-6521
27. Lassègues, J.-C.; Grondin, J.; Aupetit, C.; Johansson, P. Spectroscopic Identification of the Lithium Ion Transporting Species in LiTFSI-Doped Ionic Liquids J. Phys. Chem. A 2009, 113, 305-314
28. Monteiro, R. J.; Bazito, F. F. C.; Siqueira, L. J. A.; Ribeiro, M. C. C.; Torresi, R. M. Transport Coefficients, Raman Spectroscopy, and Computer Simulation of Lithium Salt Solutions in an Ionic Liquid J. Phys. Chem. B 2008, 112, 2102-2109
29. Shirai, A.; Fujii, K.; Seki, S.; Umebayashi, Y.; Ishiguro, S.; Ikeda, Y. Solvation of Lithium Ion in N, N -Diethyl- N -methyl- N -(2-methoxyethyl)ammonium Bis(trifluoromethanesulfonyl)amide Using Raman and Multinuclear NMR Spectroscopy Anal. Sci. 2008, 24, 1291-1296
30. Duluard, S.; Grondin, J.; Bruneel, J.-L.; Campet, G.; Delville, M.-H.; Lassègues, J.-C. Lithium Solvation in a PMMA Membrane Plasticized by a Lithium-Conducting Ionic Liquid Based on 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide J. Raman Spectrosc. 2008, 39, 1189-1194
31. Duluard, S.; Grondin, J.; Bruneel, J.-L.; Pianet, I.; Grélard, A.; Campet, G.; Delville, M.-H.; Lassègues, J.-C. Lithium Solvation and Diffusion in the 1-Butyl-3-methylimidazolium Bis(trifluoro-methane-sulfonyl)imide Ionic Liquid J. Raman Spectrosc. 2008, 39, 627-632
32. Umebayashi, Y.; Mitsugi, T.; Fukuda, S.; Fujimori, T.; Fujii, K.; Kanzaki, R.; Takeuchi, M.; Ishiguro, S.-I. Lithium Ion Solvation in Room-Temperature Ionic Liquids Involving Bis(trifluoromethane-sulfonyl) Imide Anion Studied by Raman Spectroscopy and DFT Calculations J. Phys. Chem. B 2007, 111, 13028-13032
33. Hardwick, L. J.; Holzapfel, M.; Wokaun, A.; Novák, P. Raman Study of Lithium Coordination in EMI-TFSI Additive Systems as Lithium-Ion Battery Ionic Liquid Electrolytes J. Raman Spectrosc. 2007, 38, 110-112
34. Chen, R.; Wu, F.; Li, L.; Qiu, X.; Chen, L.; Chen, S. The Structure-Activity Relationship Studies of Binary Room Temperature Complex Electrolytes Based on LiTFSI and Organic Compounds with Acylamino Group Vib. Spectrosc. 2007, 44, 297-307
35. Chen, R.; Wu, F.; Li, L.; Xu, B.; Qiu, X.; Chen, S. Novel Binary Room-Temperature Complex System Based on LiTFSI and 2-Oxazolidinone and Its Characterization as Electrolyte J. Phys. Chem. C 2007, 111, 5184-5194
36. Lassègues, J.-C.; Grondin, J.; Talaga, D. Lithium Solvation in Bis(trifluoromethanesulfonyl)imide-Based Ionic Liquids Phys. Chem. Chem. Phys. 2006, 8, 5629-5632
37. 2 J. Phys. Chem. A 2005, 109, 92-96
38. Hu, Y.; Wang, Z.; Li, H.; Huang, X.; Chen, L. Spectroscopic and DFT Studies to Understand the Liquid Formation Mechanism in the LiTFSI/Acetamide Complex System Spectrochim. Acta 2005, 61A, 2009-2015
39. Hu, Y.; Wang, Z.; Li, H.; Huang, X.; Chen, L. Ionic Conductivity and Association Studies of Novel RTMS Electrolyte Based on LiTFSI and Acetamide J. Electrochem. Soc. 2004, 151, A1424-A1428
40. Wang, Z.; Gao, W.; Huang, X.; Mo, Y.; Chen, L. Ion Transport in Polyacrylonitrile-Based Electrolytes with High LiTFSI Contents Electrochem. Solid-State Lett. 2001, 4, A148-A150
41. Wang, Z.; Gao, W.; Huang, X.; Mo, Y.; Chen, L. Spectroscopic Studies on Interactions and Microstructures in Propylene Carbonate-LiTFSI Electrolytes J. Raman Spectrosc. 2001, 32, 900-905
42. Edman, L. Ionic Association and Ion Solvation Effects at the Crystalline-Amorphous Phase transition in PEO-LiTFSI J. Phys. Chem. B 2000, 104, 7254-7258
43. Fujii, K.; Fujimori, T.; Takamuku, T.; Kanzaki, R.; Umebayashi, Y.; Ishiguro, S. Conformational Equilibrium of Bis(trifluoro-methane-sulfonyl) Imide Anion of a Room-Temperature Ionic Liquid: Raman Spectroscopic Study and DFT Calculations J. Phys. Chem. B 2006, 110, 8179-8183
44. Henderson, W. A. Glyme-Lithium Salt Phase Behavior J. Phys. Chem. B 2006, 110, 13177-13183