Resolution of three fluorescence components in the spectra of all-trans-1,6-diphenyl-1,3,5-hexatriene under isopolarizability conditions

Journal of Physical Chemistry A

Volumn 109, Issue 2, 2005, Pages 293-303

  Turek, Andrzej M ^a,b   Krishnamoorthy, Govindarajan ^a   Sears Jr , Donald F ^a   Garcia, Ivelitza ^a   Dmitrenko, Olga ^a,c   Saltiel, Jack ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

^b JAGIELLONIAN UNIVERSITY   (Poland)

^c UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN DISTRIBUTION; MIRROR-IMAGE SYMMETRY; QUANTUM YIELDS; VIBRONIC MATRIX;

ABSORPTION SPECTROSCOPY; COMPUTER SIMULATION; FLUORESCENCE; LIGHT POLARIZATION; LIGHT REFRACTION; MIRRORS; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; RATE CONSTANTS;

AROMATIC HYDROCARBONS;

EID: 13244277735     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045201u     Document Type: Article

References (104)

1. Presented in part at the Pacifichem 2000 (Joint Meeting of the American, Canadian, Japanese, and Korean Chemical Societies) Honolulu, Hawaii, December, 2000.
2. Hudson, B. S.; Kohler, B. E. Annu. Rev. Phys. Chem. 1974, 25, 437-460.
3. Hudson, B. S.; Kohler, B. E.; Schulten, K. In Excited States; Lim, E. C., Ed.; Academic Press: New York, 1982; Vol. 6, pp 1-95.
4. (a) Allen, M. T.; Whitten, D. G. Chem. Rev. 1989, 89, 1691-1702.
5. (b) Whitten, D. O. Acc. Chem. Res. 1993, 26, 502-509.
6. Saltiel, J.; Sun, Y.-P. Photochromism, Molecules and Systems; Dürr, H., Bouas-Laurent, H., Eds.; Elsevier: Amsterdam, 1990; pp 64-164.
7. Hudson, B. S.; Kohler, B. E. Chem. Phys. Lett. 1972, 14, 299-304.
8. Shulten, K.; Karplus, M. Chem. Phys. Lett. 1972, 14, 305-309.
9. See also (a) Tavan, P.; Schulten, K. J. Chem. Phys. 1979, 70, 5407-5413. (b) Orlandi, G.; Zerbetto, F.; Zgierski, M. Z. Chem. Rev. 1991, 91, 867-891.
10. See also (a) Tavan, P.; Schulten, K. J. Chem. Phys. 1979, 70, 5407-5413. (b) Orlandi, G.; Zerbetto, F.; Zgierski, M. Z. Chem. Rev. 1991, 91, 867-891.
11. Hsu, C.-P.; Hirata, S.; Head-Gordon, M. J. Phys. Chem. A 2001, 105, 451-458.
12. Catalan, J.; de Paz, J. L. G. J. Chem. Phys. 2004, 120 1864-1872.
13. Catalan, J. J. Chem. Phys. 2003, 119, 1373-1385.
14. Maitra, N. T.; Zhang, F.; Cave, R. J.; Burke, K. J. Chem. Phys. 2004, 120, 5932-5937.
15. Cave, R. J.; Zhang, F.; Maitra, N. T.; Burke, K. Chem. Phys. Lett. 2004, 389, 39-42.
16. Kohler, B. E. Chem. Rev. 1993, 93, 41-54.
17. Kohler, B. E.; Spiglanin, T. A. J. Chem. Phys. 1984, 80, 5465-5471.
18. Kohler, B. E.; Spiglanin, T. A. J. Chem. Phys. 1985, 52, 2939-2941.
19. Fang, H. L.-B.; Thrash, R. J.; Leroi, G. E. Chem. Phys. Lett. 1978, 57, 59.
20. Andrews, J. R.; Hudson, B. S. J. Chem. Phys. 1978, 68, 4587-4594.
21. Birks, J. B.; Tripathi, G. N. R.; Lumb, M. D. Chem. Phys. 1978, 33, 185-194.
22. (a) Pfeiffer, M.; Werneke, W.; Hogiu, S.; Kummrow, A.; Lau, A. Chem. Phys. Lett. 1998, 295, 56-62.
23. (b) Hogiu, S.; Werneke, W.; Pfeiffer, M.; Lau, A. Chem. Phys. Lett. 1999, 303, 218-222.
24. Werneke, W.; Hogiu, S.; Pfeiffer, M.; Lau, A.; Kummrow, A. J. Phys. Chem. A 2000, 104, 4211-4217.
25. Alford, P. C.; Palmer, T. F. Chem. Phys. Lett. 1982, 86, 248-253.
26. Alford, P. C.; Palmer, T. F. J. Chem. Soc., Faraday Trans. 2 1983, 79, 433-447.
27. Itoh, T.; Kohler, B. E. J. Phys. Chem. 1987, 91, 1760-1764.
28. Hilinski, E. F.; McGowan, W. M.; Sears, D. F., Jr.; Saltiel, J. J. Phys. Chem. 1996, 100, 3308-3311.
29. Yee, W. A.; O'Neil, R. H.; Lewis, J. W.; Zhang, J. Z.; Kliger, D. S. Chem. Phys. Lett. 1997, 276, 430-434.
30. Hogiu, S.; Werneke, W.; Pfeiffer, M.; Lau, A.; Steinke, T. Chem. Phys. Lett. 1998, 287, 8-16.
31. Strickler, S. J.; Berg, R. A. J. Chem. Phys. 1962, 37, 814-822.
32. Birks, J. B.; Dyson, D. J. Proc. R. Soc. London, Ser. A 1963, 275, 135-148.
33. Saltiel, J.; Sears, D. F., Jr.; Sun, Y.-P.; Choi, J.-O. J. Am. Chem. Soc. 1992, 114, 3607-3612.
34. Jacobs, H. J. C.; Havinga, E. Adv. Photochem. 1979, 11, 305-373.
35. Saltiel, J.; Sears, D. F., Jr.; Turek, A. M. J. Phys. Chem. A 2001, 105, 7569-7578.
36. Saltiel, J.; Choi, J.-O.; Sears, D. F., Jr.; Eaker, D. W.; Mallory, F. B.; Mallory, C. W. J. Phys. Chem. 1994, 98, 13162-13170.
37. Basu, S. Adv. Quantum Chem. 1964, 1, 145.
38. Sklar, L. A.; Hudson, B. S.; Petersen, M.; Diamond, J. Biochemistry 1977, 16, 813-818.
39. Brey, L. A.; Schuster, G. B.; Drickamer, H. G. J. Chem. Phys. 1979, 71, 2765-2772.
40. Suppan, P.; Ghoneim, N. In Solvatochromism; The Royal Society of Chemistry: Cambridge, U.K., 1997.
41. Cehelnik, E. D.; Cundall, R. B.; Lockwood, J. R.; Palmer, T. Chem. Phys. Lett. 1974, 27, 586-588.
42. Cehelnik, E. D.; Cundall, R. B.; Lockwood, J. R.; Palmer, T. J. Phys. Chem. 1975, 79, 1369-1376.
43. Jones, G. R.; Cundall, R. B. Chem. Phys. Lett. 1986, 126, 129-133.
44. Saltiel, J.; Sears, D. F., Jr.; Choi, J.-O.; Sun, Y.-P.; Eaker, D. W. J. Phys. Chem. 1994, 98, 35-46.
45. Melhuish, W. H. J. Phys. Chem. 1961, 65, 229-235.
46. Meech, S. R.; Phillips, D. J. Photochem. 1983, 23, 193-217.
47. Saltiel, J.; Krishnamoorthy, G.; Huang, Z.; Ko, D.-H.; Wang, S. J. Phys. Chem. A 2003, 107, 3178-3186.
48. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
49. (a) Schlegel, H. B. J. Comput. Chem. 1982, 3, 214-218.
50. (b) Schlegel, H. B. Adv. Chem. Phys. 1987, 67, 249.
51. Schlegel, H. B. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; p 459.
52. (a) Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100.
53. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
54. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
55. (b) Stevens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627.
56. Turek, A. M.; Krishnamoorthy, G.; Phipps, K.; Saltiel, J. J. Phys. Chem. A 2002, 106, 6044-6052.
57. Sun, Y.-P.; Sears, D. F., Jr.; Saltiel, J. J. Am. Chem. Soc. 1988, 110, 6277-6279.
58. Sun, Y.-P.; Sears, D. F., Jr.; Saltiel, J. J. Am. Chem. Soc. 1989, 111, 706-711.
59. (a) Lawton, W. H.; Sylvestre, E. A. Technometrics 1971, 13, 617-633.
60. (b) Sylvestre, E. A.; Lawton, W. H.; Maggio, M. S. Technometrics 1974, 16, 353-368.
61. Itoh, T. Chem. Phys. Lett. 1989, 159, 263-266.
62. Levshin, V. L. Z. Phys. 1931, 72, 368, 382.
63. For a recent review of polyene photophysics, see Fuss, W.; Haas, Y.; Zilberg, S. Chem. Phys. 2000, 259, 273-295.
64. See, for example, Parasassi, T.; De Stacio, G.; Rusch, R. M.; Gratton, E. Biophys. J. 1991, 59, 466-475. For recent refs, see (a) Hammer, K. A.; Carson, C. F.; Riley, T. V. J. Antimicrob. Chemother. 2004, 53, 1081-1085. (b) Pandey, B. N.; Mishra, K. P. J. Biochem., Mol. Biol. Biophys. 2002, 6, 267-272. (c) Marathe, D.; Mishra, K. P. Radiat. Res. 2002, 157, 685-692. (d) Asamoto, Y.; Tazuma, S.; Ochi, H.; Chayama, K.; Suzuki, H. Biochem. J. 2001, 359, 605-610.
65. See, for example, Parasassi, T.; De Stacio, G.; Rusch, R. M.; Gratton, E. Biophys. J. 1991, 59, 466-475. For recent refs, see (a) Hammer, K. A.; Carson, C. F.; Riley, T. V. J. Antimicrob. Chemother. 2004, 53, 1081-1085. (b) Pandey, B. N.; Mishra, K. P. J. Biochem., Mol. Biol. Biophys. 2002, 6, 267-272. (c) Marathe, D.; Mishra, K. P. Radiat. Res. 2002, 157, 685-692. (d) Asamoto, Y.; Tazuma, S.; Ochi, H.; Chayama, K.; Suzuki, H. Biochem. J. 2001, 359, 605-610.
66. See, for example, Parasassi, T.; De Stacio, G.; Rusch, R. M.; Gratton, E. Biophys. J. 1991, 59, 466-475. For recent refs, see (a) Hammer, K. A.; Carson, C. F.; Riley, T. V. J. Antimicrob. Chemother. 2004, 53, 1081-1085. (b) Pandey, B. N.; Mishra, K. P. J. Biochem., Mol. Biol. Biophys. 2002, 6, 267-272. (c) Marathe, D.; Mishra, K. P. Radiat. Res. 2002, 157, 685-692. (d) Asamoto, Y.; Tazuma, S.; Ochi, H.; Chayama, K.; Suzuki, H. Biochem. J. 2001, 359, 605-610.
67. See, for example, Parasassi, T.; De Stacio, G.; Rusch, R. M.; Gratton, E. Biophys. J. 1991, 59, 466-475. For recent refs, see (a) Hammer, K. A.; Carson, C. F.; Riley, T. V. J. Antimicrob. Chemother. 2004, 53, 1081-1085. (b) Pandey, B. N.; Mishra, K. P. J. Biochem., Mol. Biol. Biophys. 2002, 6, 267-272. (c) Marathe, D.; Mishra, K. P. Radiat. Res. 2002, 157, 685-692. (d) Asamoto, Y.; Tazuma, S.; Ochi, H.; Chayama, K.; Suzuki, H. Biochem. J. 2001, 359, 605-610.
68. See, for example, Parasassi, T.; De Stacio, G.; Rusch, R. M.; Gratton, E. Biophys. J. 1991, 59, 466-475. For recent refs, see (a) Hammer, K. A.; Carson, C. F.; Riley, T. V. J. Antimicrob. Chemother. 2004, 53, 1081-1085. (b) Pandey, B. N.; Mishra, K. P. J. Biochem., Mol. Biol. Biophys. 2002, 6, 267-272. (c) Marathe, D.; Mishra, K. P. Radiat. Res. 2002, 157, 685-692. (d) Asamoto, Y.; Tazuma, S.; Ochi, H.; Chayama, K.; Suzuki, H. Biochem. J. 2001, 359, 605-610.
69. Spalletti, A.; Bartocci, G.; Masetti, F.; Mazzucato, U.; Cruciani, G. Chem. Phys. 1992, 160, 131-144.
70. Saltiel, J.; Zhang, Y.; Sears, D. F., Jr. J. Phys. Chem. 1997, 101, 7053-7060.
71. Chattopadhyay, S. K.; Das, P. K.; Hug, G. L. J. Am. Chem. Soc. 1982, 104, 4507-4514.
72. Mateo, C. R.; Lillo, M. P.; Brochon, J. C.; Martínez-Ripoll, M.; Sanz-Aparicio, J.; Acuña, A. U. J. Phys. Chem. 1993, 97, 3486-3491.
73. Hudson, B. S.; Kohler, B. E. J. Chem. Phys. 1973, 59, 4984-5002.
74. Alford, P. C.; Palmer, T. F. P. Chem. Phys. Lett. 1986, 27, 19-25.
75. Bondarev, S. L.; Bachilo, S. M. J. Photochem. Photobiol. A: Chem. 1991, 59, 273-283.
76. (a) Syage, J. A.; Lambert, W. R.; Felker, P. M.; Zewail, A. H.; Hochstrasser, R. M. Chem. Phys. Lett. 1982, 88, 266.
77. (b) Syage, J. A.; Felker, P. M.; Zewail, A. H. J. Chem. Phys. 1984, 81, 4706.
78. Felker, P. M.; Zewail, A. H. J. Phys. Chem. 1985, 89, 5402.
79. Lunde, K.; Zechmeister, L. J. Am. Chem. Soc. 1954, 76, 2308-2313.
80. (a) Marinari, A.; Saltiel, J. Mol. Photochem. 1976, 7, 225-249.
81. (b) Saltiel, J.; Waller, A. S.; Sears, D. F., Jr.; Garrett, C. Z. J. Phys. Chem. 1993, 97, 2516-2522.
82. Turro, N. J. Modern Molecular Photochemistry; Benjamin/Cummings: Menlo Park, CA, 1978; p 90.
83. Birch, D. J. S.; Imhof, R. E. Chem. Phys. Lett. 1982, 88, 243-247.
84. (a) Saltiel, J. J. Am. Chem. Soc. 1967, 89, 1036-1037.
85. (b) Saltiel, J. J. Am. Chem. Soc. 1968, 90, 6394-6400.
86. Orlandi, G.; Siebrand, W. Chem. Phys. Lett. 1974, 30, 352-354.
87. (a) Birks, J. B.; Birch, D. J. S. Chem. Phys. Lett. 1975, 31, 608-610.
88. (b) Birks, J. B. Chem. Phys. Lett. 1978, 54, 430-434.
89. Waldeck, D. H. Chem. Rev. 1991, 91, 415-436.
90. Troe, J.; Weitzel, K. M. J. Chem. Phys. 1988, 88, 7030.
91. (a) Orlandi, G.; Palmieri, P.; Poggi, G. J. Am. Chem. Soc. 1979, 101, 3492-3497.
92. (b) Fuke, K.; Sakamoto, S.; Ueda, M.; Itoh, M. Chem. Phys. Lett. 1980, 74, 546-548.
93. Hohlneicher, G.; Dick, B. J. Photochem. 1984, 27, 215.
94. Majors, T. J.; Even, U.; Jortner, J. J. Chem. Phys. 1984, 81, 2330 and other papers in this series.
95. (a) Saltiel, J.; Sun, Y.-P. J. Phys. Chem. 1989, 93, 6246-6250.
96. (b) Sun, Y.-P.; Saltiel, J. J. Phys. Chem. 1989, 93, 8310-8316.
97. (a) Saltiel, J.; Ko, D.-H.; Fleming, S. A. J. Am. Chem. Soc. 1994, 116, 4099-4100.
98. (b) Saltiel, J.; Wang, S.; Watkins, L. P.; Ko, D.-H. J. Phys. Chem. A 2000, 104, 11443-11450.
99. (a) Charlton, J. L.; Saltiel, J. J. Phys. Chem. 1977, 81, 1940-1944.
100. (b) Saltiel, J.; Charlton, J. L. In Rearrangements in Ground and Excited States; de Mayo, P., Ed.; Academic Press: New York, 1980; Vol. III, pp 25-89.
101. (a) Malkin, S.; Fischer, E. J. Phys. Chem. 1964, 68, 1153-1163.
102. (b) Sharafi, S.; Muszkat, K. A. J. Am. Chem. Soc. 1971, 93, 4119-4125.
103. Sumitani, M.; Nakashima, N.; Yoshihara, K.; Nagakura, S. Chem. Phys. Lett. 1977, 51, 183-185.
104. Yee, W. A.; Hug, S. J.; Kliger, D. S. J. Am. Chem. Soc. 1988, 110, 2164-2169.