Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops

Journal of Physical Chemistry B

Volumn 116, Issue 24, 2012, Pages 7342-7350

  Casanovas, Jordi ^a   Canales, Manel ^b   Fabregat, Georgina ^b   Meneguzzi, Alvaro ^b,c   Alemán, Carlos ^b  

^a UNIVERSITY OF LLEIDA   (Spain)

^b UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^c FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; BINDING ENERGY; BINDING SITES; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; POLYANILINE; QUANTUM THEORY; WATER ABSORPTION;

ABSORBED WATER; DIIMINES; FTIR; FTIR SPECTROSCOPY; INTERACTION ENERGIES; MICROSCOPIC ORGANIZATION; MOLECULAR DYNAMICS SIMULATIONS; NANODROPS; NITROGEN ATOM; NUCLEOPHILIC REAGENT; PHYSISORBED; POLYANILINE EMERALDINE BASE; POLYMER CHAINS; POLYMERIC MATRICES; QUANTUM MECHANICAL; QUANTUM-MECHANICAL CALCULATION; STRUCTURAL INFORMATION; THERMODYNAMIC MEASUREMENTS; WATER MOLECULE; WHOLE PROCESS;

MOLECULES;

EID: 84862671760     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp300426b     Document Type: Article

References (34)

1. Skotheim, T. A. and Reynolds, J. R. Handbook of conducting polymers, 3 rd ed.; CRC Press: Boca Raton, 2007.
2. Wallace, G. G., Spinks, G. M., Kane-Maguire, L. A. P., and Teasdale, P. R. Conductive Electroactive Polymers; CRC Press: Boca Raton, 2009.
3. Freund, M. S. and Deore, B. Self-Doped Conducting Polymers; John Wiley & Sons Ltd.: West Sussex, England, 2007.
4. Epstein, A. J.; Ginder, J. M.; Zuo, F.; Bigelow, R. W.; Hoo, H. S.; Tanner, D. B.; Richter, A. F.; Huang, W. S.; MacDiarmid, A. G. Synth. Met. 1987, 18, 303
5. Joo, J.; Epstein, A. J.; Prigodin, V. N.; Min, G. Y.; MacDiarmid, A. G. Phys. Rev. B 1994, 50, 1226
6. Lu, W.; Fadeev, A. G.; Qi, B.; Smela, E.; Mattes, B. R.; Ding, J.; Spinks, G. M.; Mazurkiewcz, J.; Zhou, D.; Wallace, G. G.; MacFarlane, D. R.; Forsyth, S. A.; Forsyth, M. Science 2002, 297, 983
7. Alix, A.; Lemoine, V.; Nechtschein, M.; Travers, J. P.; Menardo, C. Synth. Met. 1989, 29, 457
8. Matveeva, E. S.; Díaz Calleja, R.; Parkhutik, V. P. Synth. Met. 1995, 72, 105
9. Lubentsov, B. Z.; Timofeeva, O. N.; Khidekel, M. L. Synth. Met. 1991, 45, 235
10. Lubentsov, B. Z.; Timofeeva, O. N.; Saratovskikh, S.; Krinichnyi, V.; Pelekh, A.; Dmitrenko, V.; Khidekel, M. Synth. Met. 1992, 47, 187
11. Matveeva, E. S. Synth. Met. 1996, 79, 127
12. Rodrigues, P. C.; de Souza, G. P.; Da Motta Neto, J. D.; Akcelrud, L. Polymer 2002, 43, 5493
13. Canales, M.; Aradilla, D.; Alemán, C. J. Polym. Sci., Part B: Polym. Phys. 2011, 49, 1322
14. Gaussian 09, Revision A.02, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian, Inc.: Wallingford CT, 2009.
15. Becke, A. D. J. Chem. Phys. 1993, 98, 1372
16. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
17. McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639
18. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553
19. Canales, M.; Curcó, D.; Alemán, C. J. Phys. Chem. B 2010, 114, 9771
20. Pouget, J. P.; Jozefowicz, M. E.; Epstein, A. J.; Tang, X.; MacDiarmid, A. G. Macromolecules 1991, 24, 779
21. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926
22. Darden, T.; York, D.; Pedersen, L. J. Chem. Phys. 1993, 98, 10089
23. Berendsen, H. J. C.; van der Spoel, D.; van Drunen, R. Comput. Phys. Commun. 1995, 91, 43
24. Lindahl, E.; Hess, B.; van der Spoel, D. J. Mol. Model. 2001, 7, 306
25. Van Der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. C. J. Comput. Chem. 2005, 26, 1701
26. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theory Comput. 2008, 4, 435
27. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684
28. Alemán, C.; Namba, A. M.; Casanovas, J. J. Biomol. Struct. Dyn. 2005, 23, 29
29. Ilic, M.; Koglin, A.; Pohlmeier, H. D.; Narres, H. D.; Schwuger, M. Langmuir 2000, 16, 8946
30. Trchová, M.; Stejskal, J. Pure Appl. Chem. 2011, 83, 1803
31. Kang, E. T.; Neoh, K. G.; Tan, K. L. Prog. Polym. Sci. 1998, 23, 277
32. Yelil-Arasi, A.; Latha-Jeyakumari, J. J.; Sundaresan, B.; Dhanalakshmi, V.; Anbarasan, R. Spectrochim. Acta Part A 2009, 74, 1229
33. Wang, X.; Sun, T.; Wang, C.; Wang, C.; Zhang, W.; We, Y. Macromol. Chem. Phys. 2010, 211, 1814
34. Spectral Database for Organic Compounds (SBDS). http://riodb01.ibase. aist.go.jp/sdbs/cgi-bin/cre-index.cgi