Photocycloaddition reaction dynamics of triplet pyrimidines

Journal of Physical Chemistry A

Volumn 115, Issue 21, 2011, Pages 5335-5345

  Yang, Chunfan ^a   Yu, Youqing ^a   Liu, Kunhui ^a   Song, Di ^a   Wu, Lidan ^a   Su, Hongmei ^a  

^a INSTITUTE OF CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

[2 + 2] PHOTOCYCLOADDITION; CYCLOPENTENES; FORMATION DYNAMICS; HYBRID DENSITY FUNCTIONAL CALCULATIONS; IR ABSORPTION; MODEL REACTION SYSTEM; PHOTO-DAMAGE; PHOTOCYCLOADDITION REACTION; PHOTOPRODUCTS; PRODUCT YIELDS; QUENCHING PROCESS; QUENCHING RATE CONSTANT; REACTION MECHANISM; TIME-RESOLVED; TRIPLET QUENCHING;

AROMATIC COMPOUNDS; PHOTOLYSIS; QUANTUM YIELD; QUENCHING; RATE CONSTANTS;

DYNAMICS;

CYCLOPENTANE DERIVATIVE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CYCLIZATION; INFRARED SPECTROSCOPY; PHOTOCHEMISTRY; QUANTUM THEORY; SYNTHESIS;

CYCLIZATION; CYCLOPENTANES; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; PYRIMIDINES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED;

EID: 79957591667     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp201418r     Document Type: Article

References (46)

1. Matsika, S. J. Phys. Chem. A 2004, 108, 7584
2. Perun, S.; Sobolewski, A. L.; Domcke, W. J. Phys. Chem. A 2006, 110, 13238
3. Crespo-Hernandez, C. E.; Cohen, B.; Hare, P. M.; Kohler, B. Chem. Rev. 2004, 104, 1977
4. Merchan, M.; Gonzalez-Luque, R.; Climent, T.; Serrano-Andres, L.; Rodriuguez, E.; Reguero, M.; Pelaez, D. J. Phys. Chem. B 2006, 110, 26471
5. Pecourt, J. M. L.; Peon, J.; Kohler, B. J. Am. Chem. Soc. 2000, 122, 9348
6. Malone, R. J.; Miller, A. M.; Kohler, B. Photochem. Photobiol. 2003, 77, 158
7. Pecourt, J. M. L.; Peon, J.; Kohler, B. J. Am. Chem. Soc. 2001, 123, 10370
8. Peon, J.; Zewail, A. H. Chem. Phys. Lett. 2001, 348, 255
9. Pancur, T.; Schwalb, N. K.; Renth, F.; Temps, F. Chem. Phys. 2005, 313, 199
10. Gustavsson, T.; Sarkar, N.; Lazzarotto, E.; Markovitsi, D.; Improta, R. Chem. Phys. Lett. 2006, 429, 551
11. Rycyna, R. E.; Alderfer, J. L. Biochemistry 1988, 27, 3142
12. Morrison, H. Bioorganic Photochemistry: v.1. Photochemistry and the Nucleic Acids; Wiley: New York, 1990.
13. Beukers, R.; Eker, A. P. M.; Lohman, P. H. M. DNA Repair 2008, 7, 530
14. Sinha, R. P.; Hader, D. P. Photochem. Photobiol. Sci. 2002, 1, 225
15. Yoon, J. H.; Lee, C. S.; OConnor, T. R.; Yasui, A.; Pfeifer, G. P. J. Mol. Biol. 2000, 299, 681
16. Clingen, P. H.; Arlett, C. F.; Roza, L.; Mori, T.; Nikaido, O.; Green, M. H. L. Cancer Res. 1995, 55, 2245
17. Mouret, S.; Baudouin, C.; Charveron, M.; Favier, A.; Cadet, J.; Douki, T. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 13765
18. Turro, N. J. Modern Molecular Photochemistry; University Science Books: Herndon, VA, 1978.
19. Johns, H. E.; Delbruck, M.; Rapaport, S. A. J. Mol. Biol. 1962, 4, 104
20. Whillans, D. W.; Johns, H. E. J. Am. Chem. Soc. 1971, 93, 1358
21. Gustavsson, T.; Banyasz, A.; Lazzarotto, E.; Markovitsi, D.; Scalmani, G.; Frisch, M. J.; Barone, V.; Improta, R. J. Am. Chem. Soc. 2006, 128, 607
22. Schreier, W. J.; Schrader, T. E.; Koller, F. O.; Gilch, P.; Crespo-Hernandez, C. E.; Swaminathan, V. N.; Carell, T.; Zinth, W.; Kohler, B. Science 2007, 315, 625
23. Martinez, J. M.; Elmroth, S. K. C.; Kloo, L. J. Am. Chem. Soc. 2001, 123, 12279
24. Schreier, W. J.; Kubon, J.; Regner, N.; Haiser, K.; Schrader, T. E.; Zinth, W.; Clivio, P.; Gilch, P. J. Am. Chem. Soc. 2009, 131, 5038
25. Boggio-Pasqua, M.; Groenhof, G.; Schafer, L. V.; Grubmuller, H.; Robb, M. A. J. Am. Chem. Soc. 2007, 129, 10996
26. Hare, P. M.; Crespo-Hernandez, C. E.; Kohler, B. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 435
27. Hare, P. M.; Crespo-Hernandez, C. E.; Kohler, B. J. Phys. Chem. B 2006, 110, 18641
28. Mills, J. B.; Vacano, E.; Hagerman, P. J. J. Mol. Biol. 1999, 285, 245
29. Kwok, W. M.; Ma, C.; Phillips, D. L. J. Am. Chem. Soc. 2008, 130, 5131
30. Zhang, R. B.; Eriksson, L. A. J. Phys. Chem. B 2006, 110, 7556
31. Hare, P. M.; Middleton, C. T.; Mertel, K. I.; Herbert, J. M.; Kohler, B. Chem. Phys. 2008, 347, 383
32. Uhmann, W.; Becker, A.; Taran, C.; Siebert, F. Appl. Spectrosc. 1991, 45, 390
33. Drapcho, D. L.; Curbelo, P. E.; Jiang, Y.; Crocombe, R. A.; McCarthy, W. J. Appl. Spectrosc. 1997, 54, 453
34. Frisch, M. J. T.; G., W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision B.03; Gaussian, Inc.: Wallingford, CT, 2004.
35. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
36. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter 1988, 37, 785
37. Gonzalez, C.; Schlegel, H. B. J. Phys. Chem. 1990, 94, 5523
38. Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. 1998, 109, 8218
39. Vanderlu., Wt; Oosterho., Lj J. Am. Chem. Soc. 1969, 91, 6042
40. Salet, C.; Bensasson, R. Photochem. Photobiol. 1975, 22, 231
41. Lamola, A. A.; Mittal, J. P. Science 1966, 154, 1560
42. Varghese, A. J. Biochemistry 1971, 10, 4283
43. Jennings, B. H.; Pastra-Landis, S.; Lerman, J. W. Photochem. Photobiol. 1972, 15, 479
44. http://webbook.nist.gov/.
45. Watson, F. H.; McGlynn, S. P. Theor. Chim. Acta 1971, 21, 309
46. Wagner, P. J.; Bucheck, D. J. J. Am. Chem. Soc. 1970, 92, 181