Intermolecular vibrational modes and orientational dynamics ofcooperative hydrogen-bonding dimer of 7-azaindole in solution

Journal of Chemical Physics

Volumn 134, Issue 16, 2011, Pages

  Kato, Tatsuya ^a   Shirota, Hideaki ^a  

^a CHIBA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

7-AZAINDOLE; AB-INITIO QUANTUM CHEMISTRY CALCULATIONS; BENZOFURANS; FEMTOSECONDS; HYDROGEN BONDINGS; INTERMOLECULAR MOTION; INTERMOLECULAR STRETCHING; INTERMOLECULAR VIBRATIONAL MODES; KERR EFFECT SPECTROSCOPY; KERR SPECTRA; LOW FREQUENCY; LOW FREQUENCY REGIONS; LOW-FREQUENCY RAMAN; ORIENTATIONAL DYNAMICS; ORIENTATIONAL RELAXATION; ULTRA-FAST DYNAMICS; VIBRATIONAL BANDS; VIBRATIONAL MODES;

CALCULATIONS; DIMERS; HYDROGEN; KERR MAGNETOOPTICAL EFFECT; QUANTUM CHEMISTRY;

NITROGEN COMPOUNDS;

EID: 79955686568     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3583642     Document Type: Article

References (100)

1. G. A. Jeffrey and W. Saenger, Hydrogen Bonding in Biological Structures, 1st ed. (Springer-Verlag, Berlin, 1991).
2. K. P. Murphy and E. Freire, Adv. Protein Chem. 43, 313 (1992). 10.1016/S0065-3233(08)60556-2
3. T. Kato, Science 295, 2414 (2002). 10.1126/science.1070967 (Pubitemid 34270247)
4. A. Ciferri, Macromol. Rapid Commun. 23, 511 (2002). 10.1002/1521- 3927(20020601)23:9511::AID-MARC5113.0.CO;2-F
5. F. Ilmain, T. Tanaka, and E. Kokufuta, Nature (London) 349, 400 (1991). 10.1038/349400a0
6. H. Shirota and K. Horie, Macromol. Symp. 207, 79 (2004). 10.1002/masy.200450308
7. J. D. H. Watson and F. H. C. Crick, Nature (London) 171, 737 (1953). 10.1038/171737a0
8. J. A. McCammon and S. C. Harvey, Dynamics of Proteins and Nucleic Acids (Cambridge University Press, Cambridge, England, 1987).
9. R. M. Hochstrasser, Adv. Chem. Phys. 132, 1 (2006).
10. Z. Ganim, H. S. Chung, A. W. Smith, L. P. Deflores, K. C. Jones, and A. Tokmakoff, Acc. Chem. Res. 41, 432 (2007). 10.1021/ar700188n
11. P. Hamm, J. Biol. Phys. 35, 17 (2009). 10.1007/s10867-009-9126-3
12. D. McMorrow, W. T. Lotshaw, and G. A. Kenney-Wallace, IEEE J. Quantum Electron. 24, 443 (1988). 10.1109/3.144 (Pubitemid 18612370)
13. W. T. Lotshaw, D. McMorrow, N. Thantu, J. S. Melinger, and R. Kitchenham, J. Raman Spectrosc. 26, 571 (1995). 10.1002/jrs.1250260712
14. S. Kinoshita, Y. Kai, T. Ariyoshi, and Y. Shimada, Int. J. Mod. Phys. B 10, 1229 (1996). 10.1142/S0217979296000465
15. E. W. Castner, Jr. and M. Maroncelli, J. Mol. Liq. 77, 1 (1998). 10.1016/S0167-7322(98)00066-X
16. N. A. Smith and S. R. Meech, Int. Rev. Phys. Chem. 21, 75 (2002). 10.1080/01442350110092701
17. Q. Zhong and J. T. Fourkas, J. Phys. Chem. B 112, 15529 (2008). 10.1021/jp807730u
18. H. Shirota, T. Fujisawa, H. Fukazawa, and K. Nishikawa, Bull. Chem. Soc. Jpn. 82, 1347 (2009). 10.1246/bcsj.82.1347
19. B. J. Loughnane, R. A. Farrer, A. Scodinu, T. Reilly, and J. T. Fourkas, J. Phys. Chem. B 104, 5421 (2000). 10.1021/jp000323h
20. R. A. Farrer and J. T. Fourkas, Acc. Chem. Res. 36, 605 (2003). 10.1021/ar0200302
21. N. T. Hunt, A. A. Jaye, and S. R. Meech, Phys. Chem. Chem. Phys. 9, 2167 (2007). 10.1039/b616078f
22. E. W. Castner, Jr., J. F. Wishart, and H. Shirota, Acc. Chem. Res. 40, 1217 (2007). 10.1021/ar700169g
23. H. Shirota, J. Phys. Chem. B 109, 7053 (2005). 10.1021/jp044125s (Pubitemid 40625945)
24. N. T. Hunt, A. A. Jaye, and S. R. Meech, J. Phys. Chem. B 107, 3405 (2003). 10.1021/jp022301w
25. N. T. Hunt, A. A. Jaye, A. Hellman, and S. R. Meech, J. Phys. Chem. B 108, 100 (2004). 10.1021/jp035624g
26. A. A. Jaye, N. T. Hunt, and S. R. Meech, Langmuir 21, 1238 (2005). 10.1021/la047599r (Pubitemid 40275058)
27. B. J. Loughnane and J. T. Fourkas, J. Phys. Chem. B 102, 10288 (1998). 10.1021/jp9830169
28. B. J. Loughnane, R. A. Farrer, and J. T. Fourkas, J. Phys. Chem. B 102, 5409 (1998). 10.1021/jp9810318
29. B. J. Loughnane, R. A. Farrer, A. Scodinu, and J. T. Fourkas, J. Chem. Phys. 111, 5116 (1999). 10.1063/1.479768
30. B. J. Loughnane, A. Scodinu, and J. T. Fourkas, J. Phys. Chem. B 103, 6061 (1999). 10.1021/jp991176u
31. B. J. Loughnane, A. Scodinu, and J. T. Fourkas, Chem. Phys. 253, 323 (2000). 10.1016/S0301-0104(00)00005-7
32. A. Scodinu, R. A. Farrer, and J. T. Fourkas, J. Phys. Chem. B 106, 1 2863 (2002). 10.1021/jp026769a
33. A. Scodinu and J. T. Fourkas, J. Phys. Chem. B 106, 10292 (2002). 10.1021/jp026349l (Pubitemid 35382669)
34. X. Zhu, R. A. Farrer, and J. T. Fourkas, J. Phys. Chem. B 109, 1 2724 (2005). 10.1021/jp051384o (Pubitemid 40999793)
35. H. Shirota and H. Fukazawa, in Ionic Liquids: Theory, Properties, New Approaches, edited by, A. Kokorin, (InTech, Rijeka, 2011), p. 201.
36. B. R. Hyun, S. V. Dzyuba, R. A. Bartsch, and E. L. Quitevis, J. Phys. Chem. A 106, 7579 (2002). 10.1021/jp0141575 (Pubitemid 35382558)
37. D. Xiao, J. Larry, G. Hines, S. Li, R. A. Bartsch, E. L. Quitevis, O. Russina, and A. Triolo, J. Phys. Chem. B 113, 6426 (2009). 10.1021/jp8102595
38. G. Giraud, C. M. Gordon, I. R. Dunkin, and K. Wynne, J. Chem. Phys. 119, 464 (2003). 10.1063/1.1578056
39. D. A. Turton, J. Hunger, A. Stoppa, G. Hefter, A. Thoman, M. Walther, R. Buchner, and K. Wynne, J. Am. Chem. Soc. 131, 11140 (2009). 10.1021/ja903315v
40. H. Shirota, A. M. Funston, J. F. Wishart, and E. W. Castner, Jr., J. Chem. Phys. 122, 184512 (2005). 10.1063/1.1893797 (Pubitemid 40682834)
41. H. Shirota, H. Fukazawa, T. Fujisawa, and J. F. Wishart, J. Phys. Chem. B 114, 9400 (2010). 10.1021/jp1021104
42. H. Shirota and E. W. Castner, Jr., J. Am. Chem. Soc. 123, 1 2877 (2001). 10.1021/ja010290z (Pubitemid 34015151)
43. H. Shirota and E. W. Castner, Jr., J. Chem. Phys. 125, 034904 (2006). 10.1063/1.2208356 (Pubitemid 44107165)
44. H. Shirota and H. Ushiyama, J. Phys. Chem. B 112, 13542 (2008). 10.1021/jp803627u
45. G. Giraud and K. Wynne, J. Am. Chem. Soc. 124, 12110 (2002). 10.1021/ja027801h (Pubitemid 35154874)
46. G. Giraud, J. Karolin, and K. Wynne, Biophys. J. 85, 1903 (2003). 10.1016/S0006-3495(03)74618-9
47. N. T. Hunt, L. Kattner, R. P. Shanks, and K. Wynne, J. Am. Chem. Soc. 129, 3168 (2007). 10.1021/ja066289n (Pubitemid 46449349)
48. J. D. Eaves, C. J. Fecko, A. L. Stevens, P. Peng, and A. Tokmakoff, Chem. Phys. Lett. 376, 20 (2003). 10.1016/S0009-2614(03)00890-X (Pubitemid 36860491)
49. C. A. Taylor, M. A. El-Bayoumi, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 63, 253 (1969). 10.1073/pnas.63.2.253
50. K. C. Ingham, M. Abu-Elgheit, and M. A. El-Bayoumi, J. Am. Chem. Soc. 93, 5023 (1971). 10.1021/ja00749a007
51. K. C. Ingham and M. A. El-Bayoumi, J. Am. Chem. Soc. 96, 1674 (1974). 10.1021/ja00813a006
52. K. Fuke, H. Yoshiuchi, and K. Kaya, J. Phys. Chem. 88, 5840 (1984). 10.1021/j150668a020
53. K. Fuke and K. Kaya, J. Phys. Chem. 98, 614 (1989). 10.1021/j100339a023
54. A. Nakajima, M. Hirano, R. Hasumi, K. Kaya, H. Watanabe, C. C. Carter, J. M. Williamson, and T. A. Miller, J. Phys. Chem. A 101, 392 (1997). 10.1021/jp9614411
55. J. Cataln, J. C. del Valle, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 96, 8338 (1999). 10.1073/pnas.96.15.8338 (Pubitemid 29354792)
56. J. Cataln, P. Perez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 99, 5793 (2002). 10.1073/pnas.052703899 (Pubitemid 34493218)
57. J. Cataln, P. Perez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 99, 5799 (2002). 10.1073/pnas.052703999 (Pubitemid 34493219)
58. J. Cataln, P. Perez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 101, 419 (2004). 10.1073/pnas.0306721101 (Pubitemid 38084652)
59. S. Takeuchi and T. Tahara, Chem. Phys. Lett. 277, 340 (1997). 10.1016/S0009-2614(97)00927-5
60. S. Takeuchi and T. Tahara, J. Phys. Chem. A 102, 7740 (1998). 10.1021/jp982522v
61. S. Takeuchi and T. Tahara, Proc. Natl. Acad. Sci. U.S.A. 104, 5285 (2007). 10.1073/pnas.0610141104 (Pubitemid 47175672)
62. M. Chachisvilis, T. Fiebig, A. Douhal, and A. H. Zewail, J. Phys. Chem. A 102, 669 (1998). 10.1021/jp980337b
63. A. Douhal, S. K. Kim, and A. H. Zewail, Nature (London) 378, 260 (1995). 10.1038/378260a0
64. O.-H. Kwon and A. H. Zewail, Proc. Natl. Acad. Sci. U.S.A. 104, 8703 (2007). 10.1073/pnas.0702944104 (Pubitemid 47175375)
65. A. Douhal, V. Guallar, M. Moreno, and J. M. Lluch, Chem. Phys. Lett. 256, 370 (1996). 10.1016/0009-2614(96)00457-5
66. M. Moreno, A. Douhal, J. M. Lluch, O. Castano, and L. M. Frutos, J. Phys. Chem. A 105, 3887 (2001). 10.1021/jp003797p (Pubitemid 35377873)
67. D. E. Folmer, E. S. Wisniewski, S. M. Hurley, and A. W. Castleman, Jr., Proc. Natl. Acad. Sci. U.S.A. 96, 12980 (1999). 10.1073/pnas.96.23.12980
68. V. Guallar, V. S. Batista, and W. H. Miller, J. Chem. Phys. 110, 9922 (1999). 10.1063/1.478866
69. K. Sakota, A. Hara, and H. Sekiya, Phys. Chem. Chem. Phys. 6, 32 (2004). 10.1039/b310594f
70. H. Sekiya and K. Sakota, Bull. Chem. Soc. Jpn. 79, 373 (2006). 10.1246/bcsj.79.373 (Pubitemid 44661433)
71. H. Sekiya and K. Sakota, J. Photochem. Photobiol. C 9, 81 (2008). 10.1016/j.jphotochemrev.2008.04.001
72. K. Tokumura, Y. Watanabe, and M. Itoh, Chem. Phys. Lett. 111, 379 (1984). 10.1016/0009-2614(84)85524-4
73. K. Tokumura, Y. Watanabe, M. Udagawa, and M. Itoh, J. Am. Chem. Soc 109, 1346 (1987).
74. T. Suzuki, U. Okuyama, and T. Ichimura, J. Phys. Chem. A 101, 7047 (1997). 10.1021/jp971790a
75. H. Ishikawa, H. Yabuguchi, Y. Yamada, A. Fujihara, and K. Fuke, J. Phys. Chem. A 114, 3199 (2010). 10.1021/jp909337w
76. A. M. Fedor and T. M. Korter, Chem. Phys. Lett. 429, 406 (2006). 10.1016/j.cplett.2006.07.101 (Pubitemid 44396958)
77. J. R. Dwyer, J. Dreyer, E. T. J. Nibbering, and T. Elsaesser, Chem. Phys. Lett. 432, 146 (2006). 10.1016/j.cplett.2006.10.084 (Pubitemid 44737466)
78. T. Elsaesser, N. Huse, J. Dreyer, J. R. Dwyer, K. Heyne, and E. T. J. Nibbering, Chem. Phys. 341, 175 (2007). 10.1016/j.chemphys.2007.06.036
79. R. F. W. Hopmann, J. Phys. Chem. 78, 2341 (1974). 10.1021/j150671a009
80. J. A. Walmsley, J. Phys. Chem. 85, 3181 (1981). 10.1021/j150621a035
81. H. Shirota, J. Chem. Phys. 122, 044514 (2005). 10.1063/1.1840420 (Pubitemid 41047616)
82. A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
83. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 10.1103/PhysRevB.37.785
84. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Gaussian, Inc., Pittsburgh, PA, 2003.
85. 4.
86. D. McMorrow and W. T. Lotshaw, Chem. Phys. Lett. 174, 85 (1990). 10.1016/0009-2614(90)85331-6
87. D. McMorrow and W. T. Lotshaw, J. Phys. Chem. 95, 10395 (1991). 10.1021/j100178a029
88. J. L. McHale, Molecular Spectroscopy (Prentice-Hall, Upper Saddle River, NJ, 1999).
89. T. Chakraborty and A. L. Verma, Spectrochim. Acta, Part A 58A, 1013 (2002). 10.1016/S1386-1425(01)
90. Y. J. Chang and E. W. Castner, Jr., J. Chem. Phys. 99, 7289 (1993). 10.1063/1.465710
91. H. Shirota, K. Nishikawa, and T. Ishida, J. Phys. Chem. B 113, 9831 (2009). 10.1021/jp809880j
92. T. Ishida, K. Nishikawa, and H. Shirota, J. Phys. Chem. B 113, 9840 (2009). 10.1021/jp8098818
93. I. A. Heisler and S. R. Meech, J. Chem. Phys. 132, 174503 (2010). 10.1063/1.3408288
94. P.-T. Chou, C.-Y. Wei, C.-P. Chang, and K. Meng-Shin, J. Phys. Chem. 99, 11994 (1995). 10.1021/j100031a030
95. C. Ronne, K. Jensby, B. J. Loughnane, J. Fourkas, O. Faurskov Nielsen, and S. R. Keiding, J. Chem. Phys. 113, 3749 (2000). 10.1063/1.1287737
96. M. C. Beard, W. T. Lotshaw, T. M. Korter, E. J. Heilweil, and D. McMorrow, J. Phys. Chem. A 108, 9348 (2004). 10.1021/jp047547a
97. K. Yamamoto, M. Tani, and M. Hangyo, J. Phys. Chem. B 111, 4854 (2007). 10.1021/jp067171w (Pubitemid 46826394)
98. A. Chakraborty, T. Inagaki, M. Banno, T. Mochida, and K. Tominaga, J. Phys. Chem. A 115, 1313 (2010). 10.1021/jp108097q
99. G. R. Fleming, Chemical Applications of Ultrafast Spectroscopy (Oxford University Press, New York, 1986).
100. J. Cataln, Proc. Natl. Acad. Sci. U.S.A. 105, E78 (2008). 10.1073/pnas.0805396105