Vibrational solvatochromism and electrochromism. II. Multipole analysis

Journal of Chemical Physics

Volumn 137, Issue 11, 2012, Pages

  Lee, Hochan ^a   Choi, Jun Ho ^a   Cho, Minhaeng ^a,b  

^a Korea University   (South Korea)

^b Korea Basic Science Institute (KBSI)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYSIS METHOD; CONDENSED PHASIS; DIPOLE INTERACTION; DOMINANT FACTOR; ELECTROSTATIC ENVIRONMENTS; FIELD INTERACTIONS; FREQUENCY FLUCTUATION; FREQUENCY SHIFT; H-BONDING; INFRARED PROBES; INTERACTION EFFECT; LOCAL ELECTRIC FIELD; MULTIPOLES; QUADRUPOLES; SHORT-RANGE EFFECTS; SOLVATOCHROMIC; SOLVATOCHROMISMS; SOLVENT MOLECULES; SPATIAL DERIVATIVES; STRETCH MODE FREQUENCIES; TIME-SCALES; VIBRATIONAL FREQUENCY SHIFT; VIBRATIONAL PROPERTIES; VIBRATIONAL SPECTROSCOPIC METHODS;

AMINO ACIDS; CYANIDES; ELECTRIC FIELDS; ELECTROCHROMISM; FREQUENCY SHIFT KEYING; MOLECULES; PROBES; PROTEINS; SPECTROSCOPIC ANALYSIS; VIBRATIONAL SPECTROSCOPY;

FACTOR ANALYSIS;

EID: 84866895481     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4751477     Document Type: Article

References (101)

1. S. E. Sheppard, Rev. Mod. Phys. 14 (2-3), 303 (1942). 10.1103/RevModPhys.14.303
2. W. Liptay, Angew. Chem., Int. Ed. 8 (3), 177-188 (1969). 10.1002/anie.196901771
3. W. Liptay, Excited States, edited by, E. C. Lim, (Academic, New York, 1974), p. 129.
4. C. Reichardt, Angew. Chem., Int. Ed. 4 (1), 29-40 (1965). 10.1002/anie.196500291
5. K.-I. Oh, J.-H. Lee, C. Joo, H. Han, and M. Cho, J. Phys. Chem. B 112 (33), 10352-10357 (2008). 10.1021/jp801558k
6. I. T. Suydam, C. D. Snow, V. S. Pande, and S. G. Boxer, Science 313 (5784), 200-204 (2006). 10.1126/science.1127159
7. A. T. Fafarman, L. J. Webb, J. I. Chuang, and S. G. Boxer, J. Am. Chem. Soc. 128 (41), 13356-13357 (2006). 10.1021/ja0650403
8. H. Taskent-Sezgin, J. Chung, P. S. Banerjee, S. Nagarajan, R. B. Dyer, I. Carrico, and D. P. Raleigh, Angew. Chem., Int. Ed. 49 (41), 7473-7475 (2010). 10.1002/anie.201003325
9. K. L. Kiick, E. Saxon, D. A. Tirrell, and C. R. Bertozzi, Proc. Natl. Acad. Sci. U.S.A 99, 19-24 (2002). 10.1073/pnas.012583299
10. S. Ye, E. Zaitseva, G. Caltabiano, G. F. X. Schertler, T. P. Sakmar, X. Deupi, and R. Vogel, Nature (London) 464 (7293), 1386-1389 (2010). 10.1038/nature08948
11. A. Wang, N. W. Nairn, R. S. Johnson, D. A. Tirrell, and K. Grabstein, ChemBioChem 9 (2), 324-330 (2008). 10.1002/cbic.200700379
12. E. E. Smith, B. Y. Linderman, A. C. Luskin, and S. H. Brewer, J. Phys. Chem. B 115 (10), 2380-2385 (2011). 10.1021/jp109288j
13. M. C. Thielges, J. Y. Axup, D. Wong, H. S. Lee, J. K. Chung, P. G. Schultz, and M. D. Fayer, J. Phys. Chem. B 115 (38), 11294-11304 (2011). 10.1021/jp206986v
14. N. M. Levinson, E. E. Bolte, C. S. Miller, S. A. Corcelli, and S. G. Boxer, J. Am. Chem. Soc. 133 (34), 13236-13239 (2011). 10.1021/ja2042589
15. L. N. Silverman, M. E. Pitzer, P. O. Ankomah, S. G. Boxer, and E. E. Fenlon, J. Phys. Chem. B 111 (40), 11611-11613 (2007). 10.1021/jp0750912
16. M. M. Waegele, R. M. Culik, and F. Gai, J. Phys. Chem. Lett. 2 (20), 2598-2609 (2011). 10.1021/jz201161b
17. M. Cho, Chem. Rev. 108 (4), 1331-1418 (2008). 10.1021/cr078377b
18. M. Cho, J. Chem. Phys. 118 (8), 3480-3490 (2003). 10.1063/1.1536979
19. S. Ham, J.-H. Kim, H. Lee, and M. Cho, J. Chem. Phys. 118 (8), 3491-3498 (2003). 10.1063/1.1536980
20. P. Bour and T. A. Keiderling, J. Chem. Phys. 119 (21), 11253-11262 (2003). 10.1063/1.1622384
21. J. R. Schmidt, S. A. Corcelli, and J. L. Skinner, J. Chem. Phys. 121 (18), 8887-8896 (2004). 10.1063/1.1791632
22. 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, 1107-1119 (2004). 10.1021/jp036266k
23. C. J. Fecko, J. D. Eaves, J. J. Loparo, A. Tokmakoff, and P. L. Geissler, Science 301 (5640), 1698-1702 (2003). 10.1126/science.1087251
24. T. C. Jansen and J. Knoester, J. Chem. Phys. 124 (4), 044502 (2006). 10.1063/1.2148409
25. S. A. Corcelli, C. P. Lawrence, and J. L. Skinner, J. Chem. Phys. 120 (17), 8107-8117 (2004). 10.1063/1.1683072
26. S. Li, J. R. Schmidt, S. A. Corcelli, C. P. Lawrence, and J. L. Skinner, J. Chem. Phys. 124 (20), 204110 (2006). 10.1063/1.2200690
27. J.-H. Choi, S. Hahn, and M. Cho, Int. J. Quantum Chem. 104 (5), 616-634 (2005). 10.1002/qua.20543
28. S. Hahn, H. Lee, and M. Cho, J. Chem. Phys. 121 (4), 1849-1865 (2004). 10.1063/1.1763889
29. K. Kwac and M. Cho, J. Chem. Phys. 119 (4), 2247-2255 (2003). 10.1063/1.1580807
30. K. Kwac and M. Cho, J. Chem. Phys. 119 (4), 2256-2263 (2003). 10.1063/1.1580808
31. K. Kwac and M. Cho, J. Raman Spectrosc. 36, 326 (2005). 10.1002/jrs.1303
32. K. Kwac, H. Lee, and M. Cho, J. Chem. Phys. 120 (3), 1477-1490 (2004). 10.1063/1.1633549
33. K. Kwac, C. Lee, Y. Jung, J. Han, K. Kwak, J. Zheng, M. D. Fayer, and M. Cho, J. Chem. Phys. 125, 244508 (2006). 10.1063/1.2403132
34. T. M. Watson and J. D. Hirst, Mol. Phys. 103 (11-12), 1531-1546 (2005). 10.1080/00268970500052387
35. G. Eaton, M. C. R. Symons, and P. P. Rastogi, J. Chem. Soc., Faraday Trans. 1 85 (10), 3257-3271 (1989). 10.1039/f19898503257
36. B. A. Lindquist, K. E. Furse, and S. A. Corcelli, Phys. Chem. Chem. Phys. 11 (37), 8119-8132 (2009). 10.1039/b908588b
37. Z. Getahun, C.-Y. Huang, T. Wang, B. De Leon, W. F. DeGrado, and F. Gai, J. Am. Chem. Soc. 125 (2), 405-411 (2003). 10.1021/ja0285262
38. C.-Y. Huang, T. Wang, and F. Gai, Chem. Phys. Lett. 371 (5-6), 731-738 (2003). 10.1016/S0009-2614(03)00353-1
39. M. J. Tucker, Z. Getahun, V. Nanda, W. F. DeGrado, and F. Gai, J. Am. Chem. Soc. 126 (16), 5078-5079 (2004). 10.1021/ja032015d
40. V. Lenchenkov, C. She, and T. Lian, J. Phys. Chem. B 110 (40), 19990-19997 (2006). 10.1021/jp062326l
41. M. J. Tucker, X. S. Gai, E. E. Fenlon, S. H. Brewer, and R. M. Hochstrasser, Phys. Chem. Chem. Phys. 13 (6), 2237-2241 (2011). 10.1039/c0cp01625j
42. J.-H. Choi, K.-I. Oh, H. Lee, C. Lee, and M. Cho, J. Chem. Phys. 128, 134506 (2008). 10.1063/1.2844787
43. J. R. Reimers and L. E. Hall, J. Am. Chem. Soc. 121 (15), 3730-3744 (1999). 10.1021/ja983878n
44. B. A. Lindquist and S. A. Corcelli, J. Phys. Chem. B 112 (20), 6301-6303 (2008). 10.1021/jp802039e
45. B. A. Lindquist, R. T. Haws, and S. A. Corcelli, J. Phys. Chem. B 112 (44), 13991-14001 (2008). 10.1021/jp804900u
46. J.-H. Choi, K.-I. Oh, and M. Cho, J. Chem. Phys. 129 (17), 174512 (2008). 10.1063/1.3001915
47. K.-I. Oh, J.-H. Choi, J.-H. Lee, J.-B. Han, H. Lee, and M. Cho, J. Chem. Phys. 128 (15), 154504 (2008). 10.1063/1.2904558
48. M. C. Thielges, D. A. Case, and F. E. Romesberg, J. Am. Chem. Soc. 130 (20), 6597-6603 (2008). 10.1021/ja0779607
49. J. Zimmermann, M. C. Thielges, W. Yu, P. E. Dawson, and F. E. Romesberg, J. Phys. Chem. Lett. 2 (5), 412-416 (2011). 10.1021/jz200012h
50. C. S. Kinnaman, M. E. Cremeens, F. E. Romesberg, and S. A. Corcelli, J. Am. Chem. Soc. 128 (41), 13334-13335 (2006). 10.1021/ja064468z
51. C. S. Miller, E. A. Ploetz, M. E. Cremeens, and S. A. Corcelli, J. Chem. Phys. 130 (12), 125103 (2009). 10.1063/1.3100185
52. I. T. Suydam and S. G. Boxer, Biochemistry 42 (41), 12050-12055 (2003). 10.1021/bi0352926
53. M. Cho, J. Chem. Phys. 130 (9), 094505 (2009). 10.1063/1.3079609
54. T. Hayashi, W. Zhuang, and S. Mukamel, J. Phys. Chem. A 109 (43), 9747-9759 (2005). 10.1021/jp052324l
55. T. L. Jansen, A. G. Dijkstra, T. M. Watson, J. D. Hirst, and J. Knoester, J. Chem. Phys. 125 (4), 044312 (2006). 10.1063/1.2218516
56. T. Hayashi, T. la Cour Jansen, W. Zhuang, and S. Mukamel, J. Phys. Chem. A 109 (1), 64-82 (2004). 10.1021/jp046685x
57. J.-H. Choi and M. Cho, J. Chem. Phys. 134 (15), 154513 (2011). 10.1063/1.3580776
58. H. Lee, J.-H. Choi, and M. Cho, Phys. Chem. Chem. Phys. 12, 12658-12669 (2010). 10.1039/c0cp00214c
59. J. Jeon, S. Yang, J.-H. Choi, and M. Cho, Acc. Chem. Res. 42 (9), 1280-1289 (2009). 10.1021/ar900014e
60. J.-H. Choi, S. Cheon, H. Lee, and M. Cho, Phys. Chem. Chem. Phys. 10, 3839-3856 (2008). 10.1039/b719263k
61. J.-H. Choi, H. Lee, K.-K. Lee, S. Hahn, and M. Cho, J. Chem. Phys. 126 (4), 045102 (2007). 10.1063/1.2424711
62. J.-H. Choi, D. Raleigh, and M. Cho, J. Phys. Chem. Lett. 2 (17), 2158-2162 (2011). 10.1021/jz200980g
63. J. L. Skinner, P. A. Pieniazek, and S. M. Gruenbaum, Acc. Chem. Res. 45 (1), 93-100 (2011). 10.1021/ar200122a
64. G. U. Bublitz and S. G. Boxer, Annu. Rev. Phys. Chem. 48 (1), 213-242 (1997). 10.1146/annurev.physchem.48.1.213
65. A. J. Stone, Chem. Phys. Lett. 83 (2), 233-239 (1981). 10.1016/0009-2614(81)85452-8
66. A. J. Stone and M. Alderton, Mol. Phys. 56 (5), 1047-1064 (1985). 10.1080/00268978500102891
67. A. J. Stone and S. L. Price, J. Phys. Chem. 92 (12), 3325-3335 (1988). 10.1021/j100323a006
68. H. C. Longuet-Higgins, Proc. R. Soc. London, Ser. A 235, 433 (1956). 10.1098/rspa.1956.0095
69. J. D. Jackson, Classical Electrodynamics, 2nd ed. (Wiley, Singapore, 1990).
70. D. W. Oxtoby, J. Chem. Phys. 70 (6), 2605-2610 (1979). 10.1063/1.437846
71. M. Cho, J. Chem. Phys. 105 (24), 10755-10765 (1996). 10.1063/1.472883
72. M. S. Gordon, D. G. Fedorov, S. R. Pruitt, and L. V. Slipchenko, Chem. Rev. 112 (1), 632-672 (2012). 10.1021/cr200093j
73. A. D. Buckingham, Q. Rev., Chem. Soc. 13 (3), 183-214 (1959). 10.1039/qr9591300183
74. A. Chattopadhyay and S. G. Boxer, J. Am. Chem. Soc. 117 (4), 1449-1450 (1995). 10.1021/ja00109a038
75. E. S. Park, S. S. Andrews, R. B. Hu, and S. G. Boxer, J. Phys. Chem. B 103 (45), 9813-9817 (1999). 10.1021/jp992329g
76. E. S. Park, M. R. Thomas, and S. G. Boxer, J. Am. Chem. Soc. 122 (49), 12297-12303 (2000). 10.1021/ja0014741
77. S. S. Andrews and S. G. Boxer, J. Phys. Chem. A 104 (51), 11853-11863 (2000). 10.1021/jp002242r
78. L. J. Webb and S. G. Boxer, Biochemistry 47 (6), 1588-1598 (2008). 10.1021/bi701708u
79. H. Lee, G. Lee, J. Jeon, and M. Cho, J. Phys. Chem. A 116 (1), 347-357 (2012). 10.1021/jp209709e
80. J.-H. Choi, Hahn, S., Cho, M., Biopolymers 83 (5), 519-536 (2006). 10.1002/bip.20583
81. S. Hahn, S.-S. Kim, C. Lee, and M. Cho, J. Chem. Phys. 123 (8), 084905 (2005). 10.1063/1.1997151
82. H. Maekawa and N. H. Ge, J. Phys. Chem. B 114 (3), 1434-1446 (2010). 10.1021/jp908695g
83. M. T. Zanni, N.-H. Ge, Y. S. Kim, and R. M. Hochstrasser, Proc. Natl. Acad. Sci. U. S. A. 98 (20), 11265-11270 (2001). 10.1073/pnas.201412998
84. Z. Ganim, H. S. Chung, A. W. Smith, L. P. DeFlores, K. C. Jones, and A. Tokmakoff, Acc. Chem. Res. 41 (3), 432-441 (2008). 10.1021/ar700188n
85. S. Bagchi, S. G. Boxer, and M. D. Fayer, J. Phys. Chem. B 116 (13), 4034-4042 (2012). 10.1021/jp2122856
86. D. C. Urbanek, D. Y. Vorobyev, A. L. Serrano, F. Gai, and R. M. Hochstrasser, J. Phys. Chem. Lett. 1 (23), 3311-3315 (2010). 10.1021/jz101367d
87. A. T. Fafarman, P. A. Sigala, D. Herschlag, and S. G. Boxer, J. Am. Chem. Soc. 132 (37), 12811-12813 (2010). 10.1021/ja104573b
88. K.-K. Lee, K.-H. Park, C. Joo, H.-J. Kwon, J. Jeon, H.-I. Jung, S. Park, H. Han, and M. Cho, J. Phys. Chem. B 116 (17), 5097-5110 (2012). 10.1021/jp1085119
89. L. Wang, C. T. Middleton, M. T. Zanni, and J. L. Skinner, J. Phys. Chem. B 115 (13), 3713-3724 (2011). 10.1021/jp200745r
90. T. P. Causgrove and R. B. Dyer, Biochemistry 32 (45), 11985-11991 (1993). 10.1021/bi00096a007
91. X. Hu, H. Frei, and T. G. Spiro, Biochemistry 35 (40), 13001-13005 (1996). 10.1021/bi961522n
92. J. S. Olson and G. N. Phillips, J. Biol. Chem. 271 (30), 17593-17596 (1996). 10.1074/jbc.271.30.17593
93. M. Lim, T. A. Jackson, and P. A. Anfinrud, J. Chem. Phys. 102 (11), 4355-4366 (1995). 10.1063/1.469484
94. Q. Zhong, A. P. Baronavski, and J. C. Owrutsky, J. Chem. Phys. 119 (17), 9171-9177 (2003). 10.1063/1.1614207
95. P. Hamm, M. Lim, and R. M. Hochstrasser, J. Chem. Phys. 107 (24), 10523-10531 (1997). 10.1063/1.474216
96. J. Danielsson and M. Meuwly, ChemPhysChem 8 (7), 1077-1084 (2007). 10.1002/cphc.200700042
97. S. Hirota, T. Ogura, K. Shinzawa-Itoh, S. Yoshikawa, and T. Kitagawa, J. Phys. Chem. 100 (37), 15274-15279 (1996). 10.1021/jp953190m
98. J. O. Alben and L. Y. Fager, Biochemistry 11 (5), 842-847 (1972). 10.1021/bi00755a025
99. P. Ascenzi, M. Brunori, and G. M. Giacometti, J. Mol. Biol. 182 (4), 607-609 (1985). 10.1016/0022-2836(85)90246-3
100. R. Bogumil, C. L. Hunter, R. Maurus, H.-L. Tang, H. Lee, E. Lloyd, G. D. Brayer, M. Smith, and A. G. Mauk, Biochemistry 33 (24), 7600-7608 (1994). 10.1021/bi00190a013
101. M. Lim, T. A. Jackson, and P. A. Anfinrud, J. Am. Chem. Soc. 126 (25), 7946-7957 (2004). 10.1021/ja035475f