Understanding the fingerprint region in the infra-red spectra of perfluorinated ionomer membranes and corresponding model compounds: Experiments and theoretical calculations

Journal of Power Sources

Volumn 196, Issue 20, 2011, Pages 8216-8224

  Danilczuk, Marek ^a   Lin, Lu ^a   Schlick, Shulamith ^a   Hamrock, Steven J ^b   Schaberg, Mark S ^b  

^a USA   (United States)

^b 3M COMPANY   (United States)

Author keywords

Attenuated total reflection FTIR (ATR FTIR) spectra; Density functional theory (DFT) calculations; Fuel cells; Model compounds; Nafion, Aquivion, 3M membranes

Indexed keywords

DENSITY FUNCTIONAL THEORY; ETHERS; FUEL CELLS; IONOMERS;

ATR FTIR; ATTENUATED TOTAL REFLECTION-FTIR (ATR-FTIR) SPECTRA; BAND ASSIGNMENT; DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; DFT CALCULATION; FTIR; LOW MOLECULAR WEIGHT; LOW-INTENSITY; MODEL COMPOUND; MODEL COMPOUNDS; NAFION, AQUIVION, 3M MEMBRANES; PERFLUORINATED IONOMER; PERFLUORINATED IONOMER MEMBRANES; PROTON EXCHANGE MEMBRANES; SIDE-CHAINS; SPECTRAL BAND; SULFONIC ACID; THEORETICAL CALCULATIONS;

MEMBRANES;

EID: 79961021309     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2011.05.067     Document Type: Article

References (36)

1. E. Roduner, and S. Schlick S. Schlick, Advanced ESR Methods in Polymer Research 2006 Wiley Hoboken, NJ 197 228 Chapter 8
2. M. Danilczuk, A.J. Perkowski, and S. Schlick Macromolecules 43 2010 3352 3358
3. D.E. Curtin, R.D. Lousenberg, T.J. Henry, P.C. Tangeman, and M.E. Tisack J. Power Sources 131 2004 41 48
4. J. Healy, C. Hayden, T. Xie, K. Olson, R. Waldo, A. Brundage, H. Gasteiger, and J. Abbott Fuel Cells 5 2005 302 308
5. C. Zhou, M.A. Guerra, Z.M. Qiu, T. Zawodzinski, and D.A. Schiraldi Macromolecules 40 2007 8695 8707
6. M.K. Kadirov, A. Bosnjakovic, and S. Schlick J. Phys. Chem. B 109 2005 7664 7670
7. A. Bosnjakovic, and S. Schlick J. Phys. Chem. B 110 2006 10720 10728
8. M. Danilczuk, F.D. Coms, and S. Schlick Fuel Cells 8 2008 436 452
9. M. Danilczuk, F.D.S. Coms, and Schlick J. Phys. Chem. B 113 2009 8031 8042
10. M. Danilczuk, S. Schlick, and F.D. Coms Macromolecules 42 2009 8943 8949
11. L. Ghassemzadeh, M. Marrony, R. Barrera, K.D. Kreuer, J. Maier, and K. Müller J. Power Sources 186 2009 334 338
12. L. Ghassemzadeh, K.D. Kreuer, J. Maier, and K. Müller J. Power Sources 196 2011 2490 2497
13. L. Ghassemzadeh, K.D. Kreuer, J. Maier, and K. Müller J. Phys. Chem. C 114 2010 14635 14645
14. C. Chen, and T.F. Fuller Polym. Degrad. Stab. 94 2009 1436 1447
15. S.R. Lowry, and K.A. Mauritz J. Am. Chem. Soc. 102 1980 4665 4667
16. K.M. Cable, K.A. Mauritz, and R.B. Moore J. Polym. Sci. B: Polym. Phys. 33 1995 1065 1072
17. S. Schlick, L. Lin, M. Danilczuk, S.J. Hamrock, and M.S. Schaberg Am. Chem. Soc., Div. Fuel Chem. 55 2010 231 232
18. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr. , T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennuchi, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hesagawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, E. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S.L. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M. Gill, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian 03W, revision E.01 2004 Gaussian, Inc. Wallingford, CT
19. A.D. Becke J. Chem. Phys. 98 1993 5648 5652
20. C.T. Lee, W.T. Yang, and R.G. Parr Phys. Rev. B 37 1988 785 789
21. R. Krishnan, J.S. Brinkley, R. Seeger, and J.A. Pople J. Chem. Phys. 72 1980 650 654
22. M.J. Frisch, J.A. Pople, and J.S. Binkley J. Phys. Chem. 80 1984 3265 3269
23. S. Miertus, E. Scrocco, and J. Tomasi Chem. Phys. 55 1981 117 129
24. C. Cappelli, C.O. Silva, and J. Tomasi J. Mol. Struct.: Theochem 544 2001 191 203
25. C. Cappelli, S. Monti, G. Scalmani, and V. Barone J. Chem. Theory Comput. 6 2010 1660 1669
26. M. Webber, N. Dimakis, D. Kumari, M. Fuccillo, and E.S. Smotkin Macromolecules 43 2010 5500 5502
27. C.J. Heitner-Wirguin Membr. Sci. 120 1996 1 33
28. J. Ostrowska, and A. Narebska Coll. Polym. Sci. 261 1983 93 98
29. J. Ostrowska, and A. Narebska Coll. Polym. Sci. 262 1984 305 310
30. A. Gruger, A. Regis, T. Schmatko, and P. Colomban Vib. Spectrosc. 26 2001 215 225
31. D.S. Warren, and A.J. McQuillan J. Phys. Chem. B 112 2008 10535 10543
32. M.S. Schaberg, J.E. Abulu, G.M. Haugen, M.A. Emery, S.J. O'Conner, P.N. Xiong, and S.J. Hamrock ECS Trans. 33 2010 627 633
33. A. Bernson, and J. Lindgren Solid State Ionics 60 1993 37 41
34. H. Tang, S. Peikang, S.P. Jiang, F. Wang, and M. Pan J. Power Sources 170 2007 85 92
35. J. Pacansky, M. Miller, W. Hatton, B. Liu, and A. Scheiner J. Am. Chem. Soc. 113 1991 329 343
36. Y. Okamoto Chem. Phys. Lett. 389 2004 64 67