How intermolecular charge transfer influences the air-water interface

Journal of Chemical Physics

Volumn 137, Issue 15, 2012, Pages

  Wick, Collin D ^a   Lee, Alexis J ^b   Rick, Steven W ^b  

^a LOUISIANA TECH UNIVERSITY   (United States)

^b UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AIR WATER INTERFACES; ELECTROSTATIC POTENTIALS; INTERFACIAL DIPOLES; INTERFACIAL PROPERTY; INTERMOLECULAR CHARGE TRANSFER; MOLECULAR DYNAMICS SIMULATIONS; NEGATIVE CHARGE; WATER MODELS;

AIR; MOLECULAR DYNAMICS; SURFACE TENSION;

CHARGE TRANSFER;

EID: 84867761327     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4758457     Document Type: Article

References (76)

1. I. F. W. Kuo and C. J. Mundy, Science 303 (5658), 658-660 (2004). 10.1126/science.1092787
2. I. F. W. Kuo, C. J. Mundy, B. L. Eggimann, M. J. McGrath, J. I. Siepmann, B. Chen, J. Vieceli, and D. J. Tobias, J. Phys. Chem. B 110 (8), 3738-3746 (2006). 10.1021/jp056330t
3. C. D. Wick, I. F. W. Kuo, C. J. Mundy, and L. X. Dang, J. Chem. Theory Comput. 3 (6), 2002-2010 (2007). 10.1021/ct700098z
4. R. Vácha, O. Marsalek, A. P. Willard, D. J. Bonthuis, R. R. Netz, and P. Jungwirth, J. Phys. Chem. Lett. 3 (1), 107-111 (2011). 10.1021/jz2014852
5. V. P. Sokhan and D. J. Tildesley, Mol. Phys. 92 (4), 625-640 (1997). 10.1080/002689797169916
6. B. C. Garrett, G. K. Schenter, and A. Morita, Chem. Rev. 106 (4), 1355-1374 (2006). 10.1021/cr040370w
7. A. Perry, C. Neipert, B. Space, and P. B. Moore, Chem. Rev. 106 (4), 1234-1258 (2006). 10.1021/cr040379y
8. G. L. Richmond, Chem. Rev. 102 (8), 2693-2724 (2002). 10.1021/cr0006876
9. S. Gopalakrishnan, D. F. Liu, H. C. Allen, M. Kuo, and M. J. Shultz, Chem. Rev. 106 (4), 1155-1175 (2006). 10.1021/cr040361n
10. K. B. Eisenthal, Chem. Rev. 106 (4), 1462-1477 (2006). 10.1021/cr0403685
11. P. B. Petersen and R. J. Saykally, Annu. Rev. Phys. Chem. 57, 333-364 (2006). 10.1146/annurev.physchem.57.032905.104609
12. M. Takahashi, J. Phys. Chem. B 109 (46), 21858 (2005). 10.1021/jp0445270
13. H. Takahashi, K. Maruyama, Y. Karino, A. Morita, M. Nakano, P. Jungwirth, and N. Matubayasi, J. Phys. Chem. B 115 (16), 4745-4751 (2011). 10.1021/jp2015676
14. L. W. Zilch, J. T. Maze, J. W. Smith, G. E. Ewing, and M. F. Jarrold, J. Phys. Chem. A 112 (51), 13352-13363 (2008). 10.1021/jp806995h
15. S. W. Rick, S. J. Stuart, and B. J. Berne, J. Chem. Phys. 101 (7), 6141-6156 (1994). 10.1063/1.468398
16. A. E. Howard, U. C. Singh, M. Billeter, and P. A. Kollman, J. Am. Chem. Soc. 110 (21), 6984 (1988). 10.1021/ja00229a009
17. L. X. Dang and T. M. Chang, J. Chem. Phys. 106 (19), 8149-8159 (1997). 10.1063/1.473820
18. J. L. Rivera, F. W. Starr, P. Paricaud, and P. T. Cummings, J. Chem. Phys. 125 (9), 094712 (2006). 10.1063/1.2345063
19. I. Saturo, S. Izvekov, and G. A. Voth, J. Chem. Phys. 126 (124505), 124501-124513 (2007). 10.1063/1.2673053
20. M. A. Wilson, A. Pohorille, and L. R. Pratt, J. Chem. Phys. 88 (5), 3281-3285 (1988). 10.1063/1.453923
21. L. X. Dang and T. M. Chang, J. Phys. Chem. B 106 (2), 235-238 (2002). 10.1021/jp011853w
22. C. D. Wick, L. X. Dang, and P. Jungwirth, J. Chem. Phys. 125 (2), 024706 (2006). 10.1063/1.2218840
23. C. D. Wick and L. X. Dang, Chem. Phys. Lett. 458 (1-3), 1-5 (2008). 10.1016/j.cplett.2008.03.097
24. K. R. Wilson, R. D. Schaller, D. T. Co, R. J. Saykally, B. S. Rude, T. Catalano, and J. D. Bozek, J. Chem. Phys. 117 (16), 7738-7744 (2002). 10.1063/1.1508364
25. P. Jungwirth and D. J. Tobias, Chem. Rev. 106 (4), 1259-1281 (2006). 10.1021/cr0403741
26. T. M. Chang and L. X. Dang, Chem. Rev. 106 (4), 1305-1322 (2006). 10.1021/cr0403640
27. K. A. Motakabbir and M. L. Berkowitz, Chem. Phys. Lett. 176 (1), 61-66 (1991). 10.1016/0009-2614(91)90010-7
28. W. H. Thompson and J. T. Hynes, J. Am. Chem. Soc. 122 (26), 6278-6286 (2000). 10.1021/ja993058q
29. C. Millot, J. C. Soetens, M. T. C. Martins Costa, M. P. Hodges, and A. J. Stone, J. Phys. Chem. A 102 (4), 754-770 (1998). 10.1021/jp972578+
30. A. C. T. Van Duin, S. Dasgupta, F. Lorant, and W. A. Goddard III, J. Phys. Chem. A 105 (41), 9396-9409 (2001). 10.1021/jp004368u
31. K. Honda, J. Chem. Phys. 117 (8), 3558-3569 (2002). 10.1063/1.1495851
32. R. Chelli, V. Schettino, and P. Procacci, J. Chem. Phys. 122 (23), 234107 (2005). 10.1063/1.1931653
33. R. Chelli, M. Pagliai, P. Procacci, G. Cardini, and V. Schettino, J. Chem. Phys. 122 (7), 074504 (2005). 10.1063/1.1851504
34. J. P. Piquemal, H. Chevreau, and N. Gresh, J. Chem. Theory Comput. 3 (3), 824-837 (2007). 10.1021/ct7000182
35. R. Kumar, F. F. Wang, G. R. Jenness, and K. D. Jordan, J. Chem. Phys. 132 (1), 014309 (2010). 10.1063/1.3276460
36. A. J. Lee and S. W. Rick, J. Chem. Phys. 134, 184507 (2011). 10.1063/1.3589419
37. J. Korchowiec, K. Gumiñski, and T. Uchimaru, J. Chem. Phys. 112 (4), 1623-1633 (2000). 10.1063/1.480729
38. E. D. Glendening, J. Phys. Chem. A 109 (51), 11936-11940 (2005). 10.1021/jp058209s
39. R. Z. Khaliullin, A. T. Bell, and M. Head-Gordon, Chem.-Eur. J. 15 (4), 851-855 (2009). 10.1002/chem.200802107
40. O. Gálvez, P. C. Gómez, and L. F. Pacios, J. Chem. Phys. 115 (24), 11166-11184 (2001). 10.1063/1.1420749
41. P. O. Åstrand, K. Ruud, K. V. Mikkelsen, and T. Helgaker, J. Phys. Chem. A 102 (39), 7686-7691 (1998). 10.1021/jp980574e
42. H. A. McTaggart, Philos. Mag. 27, 297 (1914). 10.1080/14786440208635092
43. A. Graciaa, G. Morel, P. Saulner, J. Lachaise, and R. S. Schechter, J. Colloid Interface Sci. 172 (1), 131-136 (1995). 10.1006/jcis.1995.1234
44. P. Saulnier, P. Bouriat, G. Morel, J. Lachaise, and A. Graciaa, J. Colloid Interface Sci. 200 (1), 81-85 (1998). 10.1006/jcis.1997.5361
45. K. G. Marinova, R. G. Alargova, N. D. Denkov, O. D. Velev, D. N. Petsev, I. B. Ivanov, and R. P. Borwankar, Langmuir 12 (8), 2045 (1996). 10.1021/la950928i
46. P. Creux, J. Lachaise, A. Graciaa, J. K. Beattie, and A. M. Djerdjev, J. Phys. Chem. B 113 (43), 14146-14150 (2009). 10.1021/jp906978v
47. J. K. Beattie, A. M. Djerdjev, and G. G. Warr, Faraday Discuss. 141, 31-39 (2008). 10.1039/b805266b
48. R. Vácha, S. W. Rick, P. Jungwirth, A. G. F. de Beer, H. B. de Aguiar, J.-S. Samson, and S. Roke, J. Am. Chem. Soc. 133 (26), 10204-10210 (2011). 10.1021/ja202081x
49. M. D. Baer, C. J. Mundy, M. J. McGrath, I. F. W. Kuo, J. I. Siepmann, and D. J. Tobias, J. Chem. Phys. 135 (12), 124712 (2011). 10.1063/1.3633239
50. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79 (2), 926-935 (1983). 10.1063/1.445869
51. A. K. Rappé and W. A. Goddard III, J. Phys. Chem. 95 (8), 3358-3363 (1991). 10.1021/j100161a070
52. C. D. Wick, J. Phys. Chem. C 116 (6), 4026-4038 (2012). 10.1021/jp209167w
53. R. Car and M. Parrinello, Phys. Rev. Lett. 55 (22), 2471 (1985). 10.1103/PhysRevLett.55.2471
54. A. L. Maniero, M. Brustolon, M. F. Ottaviani, P. Sgarabotto, and L. Greci, Mol. Phys. 73, 15 (1991). 10.1080/00268979100101021
55. J. Sala, E. Gurdia, and M. Masia, J. Chem. Phys. 133 (23), 234101 (2010). 10.1063/1.3511713
56. B. T. Thole, Chem. Phys. 59 (3), 341-350 (1981). 10.1016/0301-0104(81) 85176-2
57. J. Kolafa, J. Comput. Chem. 25 (3), 335-342 (2004). 10.1002/jcc.10385
58. H. J. C. Berendsen, J. P. M. Postma, W. F. Vangunsteren, A. Dinola, and J. R. Haak, J. Chem. Phys. 81 (8), 3684-3690 (1984). 10.1063/1.448118
59. H. C. Andersen, J. Comput. Phys. 52, 24-34 (1983). 10.1016/0021-9991(83) 90014-1
60. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23 (3), 327-341 (1977). 10.1016/0021-9991(77)90098-5
61. U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 103 (19), 8577-8593 (1995). 10.1063/1.470117
62. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
63. F. MacRitchie, Chemistry at Interfaces (Academic, San Diego, CA, 1990).
64. F. Chen and P. E. Smith, J. Chem. Phys. 126 (22), 221101 (2007). 10.1063/1.2745718
65. G. Lamoureux, E. Harder, I. V. Vorobyov, B. Roux, and A. D. MacKerell Jr., Chem. Phys. Lett. 418 (1-3), 245-249 (2006). 10.1016/j.cplett.2005.10.135
66. B. A. Bauer and S. Patel, J. Chem. Phys. 132 (2), 024713 (2010). 10.1063/1.3269673
67. P. K. Yuet and D. Blankschtein, J. Phys. Chem. B 114 (43), 13786-13795 (2010). 10.1021/jp1067022
68. D. K. Schwartz, M. L. Schlossman, E. H. Kawamoto, G. J. Kellogg, P. S. Pershan, and B. M. Ocko, Phys. Rev. A 41 (10), 5687-5690 (1990). 10.1103/PhysRevA.41.5687
69. J. D. Weeks, J. Chem. Phys. 67 (7), 3106-3121 (1977). 10.1063/1.435276
70. A. Braslau, P. S. Pershan, G. Swislow, B. M. Ocko, and J. Als-Nielsen, Phys. Rev. A 38 (5), 2457-2470 (1988). 10.1103/PhysRevA.38.2457
71. A. Braslau, M. Deutsch, P. S. Pershan, A. H. Weiss, J. Als-Nielsen, and J. Bohr, Phys. Rev. Lett. 54 (2), 114-117 (1985). 10.1103/PhysRevLett.54.114
72. M. L. Schlossman, in Encyclopedia of Applied Physics, edited by, G. L. Trigg, (VCH, New York, 1997), pp. 311.
73. D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford University Press, London, 1969).
74. G. S. Kell, J. Chem. Eng. Data 20 (1), 97-105 (1975). 10.1021/je60064a005
75. K. Krynicki, C. D. Green, and D. W. Sawyer, Faraday Discuss. Chem. Soc. 66, 199-208 (1978). 10.1039/dc9786600199
76. R. Buchner, J. Barthel, and J. Stauber, Chem. Phys. Lett. 306 (1-2), 57-63 (1999). 10.1016/S0009-2614(99)00455-8