Aggregation of perfluoroctanoate salts studied by 19F NMR and DFT calculations: Counterion complexation, poly(ethylene glycol) addition, and conformational effects

Langmuir

Volumn 26, Issue 22, 2010, Pages 16762-16770

  Abbandonato, Gerardo ^a,b   Catalano, Donata ^a   Marini, Alberto ^a  

^a UNIVERSITY OF PISA   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

15-CROWN-5 ETHER; AGGREGATION PROCESS; ANTI-CONFORMATIONS; CMC VALUES; CONCENTRATION RANGES; CONFORMATIONAL EFFECT; COUNTERIONS; CRITICAL AGGREGATION CONCENTRATION; DFT CALCULATION; DFT LEVELS; HELICAL STRUCTURES; MICELLIZATION PROCESS; QUANTUM-MECHANICAL CALCULATION; SATURATION CONCENTRATION; SURFACTANT CONCENTRATIONS;

AGGLOMERATION; CHEMICAL SHIFT; CONCENTRATION (PROCESS); CROWN ETHERS; ETHERS; ETHYLENE; ETHYLENE GLYCOL; FLUORINE; LIGANDS; MICELLES; OLIGOMERS; ORGANIC COMPOUNDS; POLYETHYLENE GLYCOLS; POLYETHYLENE OXIDES; SALTS; SURFACE ACTIVE AGENTS;

CONFORMATIONS;

EID: 78650318081     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la102578k     Document Type: Article

References (73)

1. Goddard, E. D. Colloids Surf. 1986, 19, 255.
2. Kwak, J. C. T., Ed.; Polymer-Surfactant Systems; Surfactant Science Series; Marcel Dekker, Inc.: New York, 1998; Vol. 77.
3. Kissa, E. Fluorinated Surfactants and Repellents; Surfactant Science Series; Marcel Dekker, Inc.: New York, 2001; Vol. 97.
4. Goecke, C. M.; Jarnot, B. M.; Reo, N. V. Chem. Res. Toxicol. 1992, 5, 512.
5. Kreckmann, K. H.; Sakr, C. J.; Leonard, R. C.; Dawson, B. J. J. Occup. Environ. Hyg. 2009, 6, 511.
6. Schwarz, R.; Seeling, J.; Künnecke, B. Magn. Reson. Chem. 2004, 42, 512.
7. Gianni, P.; Barghini, A.; Bernazzani, L.; Mollica, V.; Pizzolla, P. J. Phys. Chem. B 2006, 110, 9121.
8. Gianni, P. A.; Bernazzani, L.; Guido, C. A.; Mollica, V. Thermochim. Acta 2006, 451, 73.
9. Hoffmann, H.; Kalus, J.; Thurn, H. Colloid Polym. Sci. 1983, 261, 1043.
10. Berr, S. S.; Jones, R. R. M. J. Phys. Chem. 1989, 93, 2555.
11. Everiss, E.; Tiddy, G. J. T.; Wheeler, B. A. J. Chem. Soc., Faraday Trans. 1 1976, 72, 1747.
12. Iijma, H.; Kato, T.; Yoshida, H.; Imai, M. J. Phys. Chem. B 1998, 102, 990.
13. Boden, N.; Corne, S. A.; Jolley, K. W. J. Phys. Chem. 1987, 91, 4092.
14. Iijma, H.; Koyama, S.; Fujio, K.; Uzu, Y. Bull. Chem. Soc. Jpn. 1999, 72, 171.
15. Iijma, H.; Kato, T.; Södeman, O. Langmuir 2000, 16, 318.
16. Blanco, E.; Gonzáles-Pérez, A.; Ruso, J. M.; Pedrido, R.; Prieto, G.; Sarmiento, F. J. Colloid Interface Sci. 2005, 288, 247.
17. Missel, P. J.; Mazer, N. A.; Carey, M. C.; Benedek, G. B. J. Phys. Chem. 1989, 93, 8354.
18. Ropers, M. H.; Czichocki, G.; Brezesinski, G. J. Phys. Chem. B 2003, 107, 5288.
19. Lu, J. R.; Marrocco, A.; Su, T. J.; Thomas, R. K.; Penfold, J. J. Colloid Interface Sci. 1993, 158, 303.
20. Pandey, S.; Bagwe, R. P.; Shah, D. O. J. Colloid Interface Sci. 2003, 276, 160.
21. De Lisi, R.; De Simone, D.; Milioto, S. J. Phys. Chem. B 2000, 104, 12130.
22. Gianni, P.; Barghini, A.; Bernazzani, L.; Mollica, V. Langmuir 2006, 22, 8001.
23. Bernazzani, L.; Borsacchi, S.; Catalano, D.; Gianni, P.; Mollica, V.; Vitelli, M.; Asaro, F.; Feruglio, M. J. Phys. Chem. B 2004, 108, 8960.
24. Minatti, A.; Zanette, D. Colloids Surf., A 1998, 113, 237.
25. Froehner, F. J.; Belarmino, A.; Zanette, D. Colloids Surf., A 1998, 137, 131.
26. Mészáros, R.; Varga, I.; Gilányi, T. J. Phys. Chem. B 2005, 109, 13538.
27. Péron, N.; Mészáros, R.; Varga, I.; Gilányi, T. J. Colloid Interface Sci. 2007, 313, 389.
28. Cabane, B.; Dulessix, R. J. Phys. (Paris) 1982, 43, 1529.
29. Chari, K. J. Colloid Interface Sci. 1992, 151, 294.
30. Downer, A.; Eastoe, J.; Pitt, A. R.; Penfold, J.; Heenan, R. K. Colloids Surf, A 1999, 156, 33.
31. Smith, M. L.; Muller, N. J. Colloid Interface Sci. 1975, 52, 507.
32. Guo, W.; Brown, T. A.; Fung, B. M. J. Phys. Chem. 1991, 95, 1829.
33. Segre, A. L.; Proietti, N.; Sesta, B.; D'Aprano, A.; Amato, M. E. J. Phys. Chem. B 1998, 102, 10254.
34. Xing, H.; Lin, S.-S.; Lu, R.-C.; Xiao, J.-X. Colloids Surf., A 2008, 318, 199.
35. Cabane, B. J. Phys. Chem. 1977, 81, 1639.
36. Dubin, P. L.; Gruber, J. H.; Xia, J.; Zhang, H. J. Colloid Interface Sci. 1992, 148, 35.
37. (a) Benrraou, M.; Bales, B. L.; Zana, R. J. Colloid Interface Sci. 2003, 267, 519.
38. (b) J. Phys. Chem. B 2003, 107, 13432.
39. Cross, J. Nonionic Surfactants; Marcel Dekker, Inc.: New York, 1987.
40. Chan, K. W. S.; Cook, K. D. Macromolecules 1983, 16, 1736.
41. Sartori, R.; Sepulveda, L.; Quina, F.; Lissi, E.; Abuin, E. Macromolecules 1990, 23, 3878.
42. Okada, T. Macromolecules 1990, 23, 4216.
43. Wyttenbach, T.; von Helden, G.; Bowers, M. T. Int. J. Mass Spectrom. Ion Processes 1997, 165/166, 377.
44. Steed, J. W. Coord. Chem. Rev. 2001, 215, 171.
45. Balasubramanian, D.; Chandani, D. J. Chem. Educ. 1983, 60, 77.
46. Jang, S. S.; Blanco, M.; Goddard, W. A., III; Cadwell, G.; Ross, R. B. Macromolecules 2003, 36, 5331.
47. Ellis, D. A.; Denkenberger, K. A.; Burrow, T. E.; Mabury, S. J. Phys. Chem. A 2004, 108, 10099.
48. Knochenhauer, G.; Reiche, J.; Brehmer, L.; Barberka, T.; Wooley, M.; Tredgold, R.; Hodge, P. J. Chem. Soc, Chem. Commun. 1995, 1619.
49. Tomasi, J.; Mennucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999.
50. Cavalli, A.; Carloni, P.; Recanatini, M. Chem. 2006, 106, 3497.
51. Kamerlin, S. C. L.; Haranczyk, M.; Warshel, A. J. Phys. Chem. B 2009, 113, 1253.
52. Kaupp, M., Buhl, M., Malkin, V. G., Eds.; Calculation of NMR and EPR Parameters; Wiley VHC Verlag GmbH & Co. KGaA: Weinheim, 2004.
53. Marini, A.; Prasad, V.; Dong, R. Y. A Combined DFT and Carbon-13 NMR Study of a Biaxial Bent-core Liquid Crystal. In Nuclear Magnetic Resonance Spectroscopy of Liquid Crystals; Dong, R. Y, Ed.; Publisher World Scientific Publishing Co.: Singapore, Nov. 2009.
54. Marini, A. Understanding Complex Liquid Crystalline Materials: A multinuclear NMR spectroscopy and ab initio calculations approach; VDM Verlag Dr. Muller Aktiengesellschaft & Co. KG: Saarbrücken, Germany, 2010 (ISBN-13:978-3639254228).
55. Dong, R. Y.; Marini, A. J. Phys. Chem. B 2009, 113, 14062.
56. Dahlberg, M.; Marini, A.; Mennucci, B.; Maliniak, A. J. Phys. Chem. A 2010, 114, 4375.
57. Cances, E.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 1997, 107, 3032.
58. Frisch, M. J.; et al. Gaussian 09 Revision A.01; Gaussian, Inc.: Wallingford, CT, 2009.
59. Becke, A. D. Chem. Phys. 1993, 98, 1372.
60. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
61. Camerons, D. G.; Umemura, J.; Mantsch, H. H. Can. J. Chem. 1981, 59, 1357.
62. Brady, J. E.; Carr, P. W. Anal. Chem. 1982, 54, 1751.
63. Casewit, C. J.; Colwell, K. S.; Rappe, A. K. J. Am. Chem. Soc. 1992, 114, 10046.
64. Perdew, J. P.; Burke, K.; Wang, Y. Phys. Rev. B 1996, 54, 16533.
65. Adamo, C.; Barone, V. J. Chem. Phys. 1998, 108, 664.
66. Facelli, J. C. Concepts Magn. Reson. 2004, 20 A, 42.
67. Buchanan, G. W.; Munteanu, E.; Dawson, B. A.; Hodgson, D. Magn. Reson. Chem. 2005, 43, 528.
68. To our knowledge, the occurrence of the slow exchange limit in systems similar to the present ones is reported only in ref 33.
69. Sanders, J. K. M.; Hunter, B. K. Modern NMR Spectroscopy; Oxford University Press: Oxford, 1993.
70. Baglioni, P.; Gambi, C. M. C.; Giordano, R.; Teixeira, J. Colloids Surf., A 1997, 121, 47.
71. Scaffei, L.; Lanzi, L.; Gambi, C. M. C.; Giordano, R.; Baglioni, P.; Teixeira, J. J. Phys. Chem. B 2002, 106, 10771.
72. Erkoç, Ş.; Erkoç, F. J. Mol. Struct. 2001, 549, 289.
73. Cramer, C. J. Essentials of Computational Chemistry: Theories and Models; Wiley: Chichester, England, 2004.