IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

Journal of Chemical Physics

Volumn 143, Issue 1, 2015, Pages

  Ni, Yicun ^a   Skinner, J L ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; HYDROGEN BONDS; LIQUIDS; MOLECULAR DYNAMICS; SPECTRAL DENSITY; VIBRATIONAL SPECTROSCOPY;

CLASSICAL MOLECULAR DYNAMICS; INTERMOLECULAR COUPLING; LIQUID-VAPOR INTERFACE; LIQUID/VAPOR INTERFACES; SFG VIBRATIONAL SPECTROSCOPY; SUM FREQUENCY GENERATION; THREE-BODY INTERACTION; TRANSITION FREQUENCIES;

PHASE INTERFACES;

EID: 84936880502     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4923462     Document Type: Article

References (109)

1. H. Bakker and J. L. Skinner, Chem. Rev. 110, 1498 (2010). 10.1021/cr9001879
2. Z. Wang, A. Pakoulev, Y. Pang, and D. D. Dlott, J. Phys. Chem. A 108, 9054 (2004). 10.1021/jp048545t
3. H. Palamarev and G. Georgiev, Vib. Spectrosc. 7, 255 (1994). 10.1016/0924-2031(94)85015-1
4. D. E. Hare and C. M. Sorensen, J. Chem. Phys. 93, 6954 (1990). 10.1063/1.459472
5. W. F. Murphy and H. J. Bernstein, J. Phys. Chem. 76, 1147 (1972). 10.1021/j100652a010
6. J. D. Smith, C. D. Cappa, K. R. Wilson, R. C. Cohen, P. L. Geissler, and R. J. Saykally, Proc. Natl. Acad. Sci. U. S. A. 102, 14171 (2005). 10.1073/pnas.0506899102
7. J. B. Asbury, T. Steinel, C. Stromberg, S. A. Corcelli, C. P. Lawrence, J. L. Skinner, and M. D. Fayer, J. Phys. Chem. A 108, 1107 (2004). 10.1021/jp036266k
8. Q. Sun, Chem. Phys. Lett. 568, 90 (2013). 10.1016/j.cplett.2013.03.065
9. Q. Wan, L. Spanu, G. A. Galli, and F. Gygi, J. Chem. Theory Comput. 9, 4124 (2013). 10.1021/ct4005307
10. J.-H. Choi and M. Cho, J. Chem. Phys. 138, 174108 (2013). 10.1063/1.4802991
11. P. B. Miranda and Y. R. Shen, J. Phys. Chem. B 103, 3292 (1999). 10.1021/jp9843757
12. M. G. Brown, E. A. Raymond, H. C. Allen, L. F. Scatena, and G. L. Richmond, J. Phys. Chem. A 104, 10220 (2000). 10.1021/jp0010942
13. M. J. Shultz, S. Baldelli, C. Schnitzer, and D. Simonelli, J. Phys. Chem. B 106, 5313 (2002). 10.1021/jp014466v
14. G. L. Richmond, Chem. Rev. 102, 2693 (2002). 10.1021/cr0006876
15. D. Liu, G. Ma, L. M. Levering, and H. C. Allen, J. Phys. Chem. B 108, 2252 (2004). 10.1021/jp036169r
16. Y. R. Shen and V. Ostroverkhov, Chem. Rev. 106, 1140 (2006). 10.1021/cr040377d
17. A. Perry, C. Neipert, B. Space, and P. B. Moore, Chem. Rev. 106, 1234 (2006). 10.1021/cr040379y
18. W. Gan, D. Wu, Z. Zhang, R. Feng, and H. Wang, J. Chem. Phys. 124, 114705 (2006). 10.1063/1.2179794
19. A. Morita and T. Ishiyama, Phys. Chem. Chem. Phys. 10, 5801 (2008). 10.1039/b808110g
20. X. Fan, X. Chen, L. Yang, P. S. Cremer, and Y. Q. Gao, J. Phys. Chem. B 113, 11672 (2009). 10.1021/jp900117t
21. C. S. Tian, S. J. Byrnes, H.-L. Han, and Y. R. Shen, J. Phys. Chem. Lett. 2, 1946 (2011). 10.1021/jz200791c
22. A. M. Jubb, W. Hua, and H. C. Allen, Acc. Chem. Res. 45, 110 (2011). 10.1021/ar200152v
23. C.-S. Tian and Y. R. Shen, J. Am. Chem. Soc. 131, 2790 (2009). 10.1021/ja809497y
24. C. S. Tian and Y. R. Shen, Chem. Phys. Lett. 470, 1 (2009). 10.1016/j.cplett.2009.01.016
25. P. A. Pieniazek, C. J. Tainter, and J. L. Skinner, J. Am. Chem. Soc. 133, 10360 (2011). 10.1021/ja2026695
26. P. A. Pieniazek, C. J. Tainter, and J. L. Skinner, J. Chem. Phys. 135, 044701 (2011). 10.1063/1.3613623
27. T. Ishiyama and A. Morita, J. Phys. Chem. C 113, 16299 (2009). 10.1021/jp9060957
28. T. Ishiyama and A. Morita, J. Chem. Phys. 131, 244714 (2009). 10.1063/1.3279126
29. S. Nihonyanagi, T. Ishiyama, T.-K. Lee, S. Yamaguchi, M. Bonn, A. Morita, and T. Tahara, J. Am. Chem. Soc. 133, 16875 (2011). 10.1021/ja2053754
30. T. Ishiyama, H. Takahashi, and A. Morita, J. Phys.: Condens. Matter 24, 124107 (2012). 10.1088/0953-8984/24/12/124107
31. C. J. Tainter, Y. Ni, L. Shi, and J. L. Skinner, J. Phys. Chem. Lett. 4, 12 (2013). 10.1021/jz301780k
32. B. M. Auer, R. Kumar, J. R. Schmidt, and J. L. Skinner, Proc. Natl. Acad. Sci. U. S. A. 104, 14215 (2007). 10.1073/pnas.0701482104
33. M. Falk, Spectrochim. Acta, Part A 40, 43 (1984). 10.1016/0584-8539(84)80027-6
34. J. E. Bertie, M. K. Ahmed, and H. H. Eysel, J. Phys. Chem. 93, 2210 (1989). 10.1021/j100343a008
35. J. E. Bertie and Z. Lan, Appl. Spectrosc. 50, 1047 (1996). 10.1366/0003702963905385
36. J.-J. Max and C. Chapados, J. Chem. Phys. 131, 184505 (2009). 10.1063/1.3258646
37. D. A. Draegert, N. W. B. Stone, B. Curnutte, and D. Williams, J. Opt. Soc. Am. 56, 64 (1966). 10.1364/JOSA.56.000064
38. M. Pavlovic, G. Baranovic, and D. Lovrekovic, Spectrochim. Acta, Part A 47, 897 (1991). 10.1016/0584-8539(91)80277-P
39. J. P. Devlin, J. Sadlej, and V. Buch, J. Phys. Chem. A 105, 974 (2001). 10.1021/jp003455j
40. M. Vinaykin and A. V. Benderskii, J. Phys. Chem. Lett. 3, 3348 (2012). 10.1021/jz3014776
41. S. Ashihara, S. Fujioka, and K. Shibuya, Chem. Phys. Lett. 502, 57 (2011). 10.1016/j.cplett.2010.12.001
42. S. Ashihara, N. Huse, A. Espagne, E. T. J. Nibbering, and T. Elsaesser, Chem. Phys. Lett. 424, 66 (2006). 10.1016/j.cplett.2006.04.051
43. J. Lindner, P. Vöhringer, M. S. Pshenichnikov, D. Cringus, D. A. Wiersma, and M. Mostovoy, Chem. Phys. Lett. 421, 329 (2006). 10.1016/j.cplett.2006.01.081
44. P. Bodis, O. F. A. Larsen, and S. Woutersen, J. Phys. Chem. A 109, 5303 (2005). 10.1021/jp050409g
45. N. Huse, S. Ashihara, E. T. J. Nibbering, and T. Elsaesser, Chem. Phys. Lett. 404, 389 (2005). 10.1016/j.cplett.2005.02.007
46. O. F. A. Larsen and S. Woutersen, J. Chem. Phys. 121, 12143 (2004). 10.1063/1.1839175
47. F. Ingrosso, R. Rey, T. Elsaesser, and J. T. Hynes, J. Phys. Chem. A 113, 6657 (2009). 10.1021/jp9022713
48. R. Rey and J. T. Hynes, Phys. Chem. Chem. Phys. 14, 6332 (2012). 10.1039/c2cp23555b
49. A. Bastida, J. Zuniga, A. Requena, and B. Miguel, J. Chem. Phys. 136, 234507 (2012). 10.1063/1.4729251
50. B. Miguel, J. Zuniga, A. Requena, and A. Bastida, J. Phys. Chem. B 118, 9427 (2014). 10.1021/jp5058447
51. J. A. McGuire and Y. R. Shen, Science 313, 1945 (2006). 10.1126/science.1131536
52. M. Smits, A. Ghosh, M. Sterrer, M. Müller, and M. Bonn, Phys. Rev. Lett. 98, 098302 (2007). 10.1103/PhysRevLett.98.098302
53. J. R. Scherer, M. K. Go, and S. Kint, J. Phys. Chem. 78, 1304 (1974). 10.1021/j100606a013
54. M. G. Sceats, M. Stavola, and S. A. Rice, J. Chem. Phys. 71, 983 (1979). 10.1063/1.438389
55. M. Sovago, R. K. Campen, G. W. H. Wurpel, M. Müller, H. J. Bakker, and M. Bonn, Phys. Rev. Lett. 100, 173901 (2008). 10.1103/PhysRevLett.100.173901
56. L. D. Marco, K. Ramasesha, and A. Tokmakoff, J. Phys. Chem. B 117, 15319 (2013). 10.1021/jp4034613
57. M. Freda, A. Piluso, A. Santucci, and P. Sassi, Appl. Spectrosc. 59, 1155 (2005). 10.1366/0003702055012591
58. Y. Nagata, C.-S. Hsieh, T. Hasegawa, J. Voll, E. H. G. Backus, and M. Bonn, J. Phys. Chem. Lett. 4, 1872 (2013). 10.1021/jz400683v
59. J. Martí, J. A. Padró, and E. Guàrdia, J. Chem. Phys. 105, 639 (1996). 10.1063/1.471932
60. H. Ahlborn, X. Ji, B. Space, and P. B. Moore, J. Chem. Phys. 111, 10622 (1999). 10.1063/1.480415
61. A. Perry, C. Neipert, C. R. Kasprzyk, T. Green, B. Space, and P. B. Moore, J. Chem. Phys. 123, 144705 (2005). 10.1063/1.2046630
62. E. Harder, J. D. Eaves, A. Tokmakoff, and B. J. Berne, Proc. Natl. Acad. Sci. U. S. A. 102, 11611 (2005). 10.1073/pnas.0505206102
63. H. Torii, J. Phys. Chem. A 110, 9469 (2006). 10.1021/jp062033s
64. P. K. Mankoo and T. Keyes, J. Chem. Phys. 129, 034504 (2008). 10.1063/1.2948966
65. T. Hasegawa and Y. Tanimura, J. Phys. Chem. B 115, 5545 (2011). 10.1021/jp111308f
66. S. Imoto, S. S. Xantheas, and S. Saito, J. Chem. Phys. 138, 054506 (2013). 10.1063/1.4789951
67. S. Imoto, S. S. Xantheas, and S. Saito, J. Chem. Phys. 139, 044503 (2013). 10.1063/1.4813071
68. L.-P. Wang, T. L. Head-Gordon, J. W. Ponder, P. Ren, J. D. Chodera, P. K. Eastman, T. J. Martinez, and V. S. Pande, J. Phys. Chem. B 117, 9956 (2013). 10.1021/jp403802c
69. S. Habershon, G. S. Fanourgakis, and D. E. Manolopoulos, J. Chem. Phys. 129, 074501 (2008). 10.1063/1.2968555
70. F. Paesani and G. A. Voth, J. Chem. Phys. 132, 014105 (2010). 10.1063/1.3291212
71. M. Rossi, H. Liu, F. Paesani, J. Bowman, and M. Ceriotti, J. Chem. Phys. 141, 181101 (2014). 10.1063/1.4901214
72. G. R. Medders and F. Paesani, J. Chem. Theory Comput. 11, 1145 (2015). 10.1021/ct501131j
73. P. L. Silvestrelli, M. Bernasconi, and M. Parrinello, Chem. Phys. Lett. 277, 478 (1997). 10.1016/S0009-2614(97)00930-5
74. W. Chen, M. Sharma, R. Resta, G. Galli, and R. Car, Phys. Rev. B 77, 245114 (2008). 10.1103/PhysRevB.77.245114
75. M. Heyden, J. Sun, S. Funkner, G. Mathias, H. Forbert, M. Havenith, and D. Marx, Proc. Natl. Acad. Sci. U. S. A. 107, 12068 (2010). 10.1073/pnas.0914885107
76. C. Zhang, D. Donadio, and G. Galli, J. Phys. Chem. A 1, 1398 (2010). 10.1021/jz100232z
77. T. Ikeda, J. Chem. Phys. 141, 044501 (2014). 10.1063/1.4890369
78. Y. Nagata, S. Yoshimune, C.-S. Hsieh, J. Hunger, and M. Bonn, Phys. Rev. X 5, 021002 (2015). 10.1103/physrevx.5.021002
79. B. M. Auer and J. L. Skinner, J. Chem. Phys. 128, 224511 (2008). 10.1063/1.2925258
80. J. L. Skinner, B. M. Auer, and Y.-S. Lin, Adv. Chem. Phys. 142, 59 (2009). 10.1002/9780470475935.ch2
81. S. M. Gruenbaum, C. J. Tainter, L. Shi, Y. Ni, and J. L. Skinner, J. Chem. Theory Comput. 9, 3109 (2013). 10.1021/ct400292q
82. S. A. Corcelli, C. P. Lawrence, and J. L. Skinner, J. Chem. Phys. 120, 8107 (2004). 10.1063/1.1683072
83. Y.-S. Lin, B. M. Auer, and J. L. Skinner, J. Chem. Phys. 131, 144511 (2009). 10.1063/1.3242083
84. P. A. Pieniazek, Y.-S. Lin, J. Chowdhary, B. M. Ladanyi, and J. L. Skinner, J. Phys. Chem. B 113, 15017 (2009). 10.1021/jp906784t
85. J. L. Skinner, P. A. Pieniazek, and S. M. Gruenbaum, Acc. Chem. Res. 45, 93 (2012). 10.1021/ar200122a
86. C. J. Tainter and J. L. Skinner, J. Chem. Phys. 137, 104304 (2012). 10.1063/1.4746157
87. Y. Ni, S. M. Gruenbaum, and J. L. Skinner, Proc. Natl. Acad. Sci. U. S. A. 110, 1992 (2013). 10.1073/pnas.1222017110
88. C. J. Tainter, L. Shi, and J. L. Skinner, J. Chem. Phys. 140, 134503 (2014). 10.1063/1.4869293
89. L. Shi and J. L. Skinner, J. Phys. Chem. B 117, 15536 (2013). 10.1021/jp405860u
90. L. Shi, Y. Ni, S. E. P. Drews, and J. L. Skinner, J. Chem. Phys. 141, 084508 (2014). 10.1063/1.4893792
91. S. Roy, S. M. Gruenbaum, and J. L. Skinner, J. Chem. Phys. 141, 18 (2014). 10.1063/1.4903810
92. S. Roy, S. M. Gruenbaum, and J. L. Skinner, J. Chem. Phys. 141, 22 (2014). 10.1063/1.4903810
93. D. A. McQuarrie, Statistical Mechanics (Harper and Row, New York, 1976).
94. F. Li and J. L. Skinner, J. Chem. Phys. 133, 244504 (2010). 10.1063/1.3516460
95. F. Li and J. L. Skinner, J. Chem. Phys. 132, 204505 (2010). 10.1063/1.3430518
96. B. M. Auer and J. L. Skinner, J. Chem. Phys. 129, 214705 (2008). 10.1063/1.3012568
97. B. M. Auer and J. L. Skinner, J. Phys. Chem. B 113, 4125 (2009). 10.1021/jp806644x
98. B. R. Johnson and W. P. Reinhardt, J. Chem. Phys. 85, 4538 (1986). 10.1063/1.451775
99. D. Colbert and W. H. Miller, J. Chem. Phys. 96, 1982 (1992). 10.1063/1.462100
100. A. Morita and S. Kato, J. Chem. Phys. 110, 11987 (1999). 10.1063/1.479167
101. G. Marcotte and P. Ayotte, J. Chem. Phys. 134, 114522 (2011). 10.1063/1.3562368
102. Y. Wang, X. Huang, B. C. Shepler, B. J. Braams, and J. M. Bowman, J. Chem. Phys. 134, 094509 (2011). 10.1063/1.3554905
103. C. J. Tainter, P. A. Pieniazek, Y.-S. Lin, and J. L. Skinner, J. Chem. Phys. 134, 184501 (2011). 10.1063/1.3587053
104. Y. Ni and J. L. Skinner, J. Chem. Phys. 141, 024509 (2014). 10.1063/1.4886427
105. B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008). 10.1021/ct700301q
106. L. Piatkowski and H. J. Bakker, J. Chem. Phys. 135, 214509 (2011). 10.1063/1.3664866
107. M. Falk, J. Raman Spectrosc. 21, 563 (1990). 10.1002/jrs.1250210907
108. R. Kumar, J. R. Schmidt, and J. L. Skinner, J. Chem. Phys. 126, 204107 (2007). 10.1063/1.2742385
109. C. P. Lawrence and J. L. Skinner, Chem. Phys. Lett. 369, 472 (2003). 10.1016/S0009-2614(02)02039-0