Unraveling ultrafast dynamics in photoexcited aniline

Journal of the American Chemical Society

Volumn 134, Issue 30, 2012, Pages 12578-12589

  Roberts, Gareth M ^a   Williams, Craig A ^a   Young, Jamie D ^a   Ullrich, Susanne ^b   Paterson, Martin J ^c   Stavros, Vasilios G ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

^b UNIVERSITY OF GEORGIA   (United States)

^c HERIOT WATT UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AMINO GROUP; AMINO MOIETY; BOND FISSIONS; BOND SCISSIONS; BROADBAND FEMTO-SECOND LASERS; BUILDING BLOCKES; CAS-SCF; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; DNA BASIS; EXCITATION WAVELENGTH; EXCITED-STATE DYNAMICS; NON-ADIABATIC; PHOTOCHEMICAL PATHWAYS; POTENTIAL ENERGY PROFILES; TIME-RESOLVED; ULTRA-FAST; ULTRA-FAST DYNAMICS; VELOCITY MAP IMAGING;

ANILINE;

EXCITED STATES;

AMINE; ANILINE; DNA BASE; GUANINE;

AB INITIO CALCULATION; ARTICLE; COVALENT BOND; FEMTOSECOND LASER; GENETICS; GEOMETRY; HYDROGEN BOND; IMAGING; MOLECULAR DYNAMICS; PHOTOCHEMISTRY; SURFACE PROPERTY; ULTRAFAST TIME RESOLVED VELOCITY MAP IMAGING; WAVEFORM;

EID: 84864443120     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja3029729     Document Type: Article

References (78)

1. Ashfold, M. N. R.; Cronin, B.; Devine, A. L.; Dixon, R. N.; Nix, M. G. D. Science 2006, 312, 1637-1640
2. Ashfold, M. N. R.; King, G. A.; Murdock, D.; Nix, M. G. D.; Oliver, T. A. A.; Sage, A. G. Phys. Chem. Chem. Phys. 2010, 12, 1218-1238
3. Crespo-Hernandez, C. E.; Cohen, B.; Hare, P. M.; Kohler, B. Chem. Rev. 2004, 104, 1977-2019
4. Middleton, C. T.; de La Harpe, K.; Su, C.; Law, Y. K.; Crespo-Hernandez, C. E.; Kohler, B. Annu. Rev. Phys. Chem. 2009, 60, 217-239
5. 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, 625-629
6. Balucani, N. Int. J. Mol. Sci. 2009, 10, 2304-2335
7. Roberts, G. M.; Williams, C. A.; Paterson, M. J.; Ullrich, S.; Stavros, V. G. Chem. Sci. 2012, 3, 1192-1199
8. Ullrich, S.; Schultz, T.; Zgierski, M. Z.; Stolow, A. J. Am. Chem. Soc. 2004, 126, 2262-2263
9. Ullrich, S.; Schultz, T.; Zgierski, M. Z.; Stolow, A. Phys. Chem. Chem. Phys. 2004, 6, 2796-2801
10. Satzger, H.; Townsend, D.; Zgierski, M. Z.; Patchkovskii, S.; Ullrich, S.; Stolow, A. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 10196-10201
11. Nix, M. G. D.; Devine, A. L.; Cronin, B.; Ashfold, M. N. R. J. Chem. Phys. 2007, 126, 124312
12. Evans, N. L.; Ullrich, S. J. Phys. Chem. A 2010, 114, 11225-11230
13. Iqbal, A.; Stavros, V. G. J. Phys. Chem. Lett. 2010, 1, 2274-2278
14. Crespo-Hernandez, C. E.; Cohen, B.; Kohler, B. Nature 2005, 436, 1141-1144
15. Schwalb, N. K.; Temps, F. J. Am. Chem. Soc. 2007, 129, 9272-9273
16. Kohler, B. J. Phys. Chem. Lett. 2010, 1, 2047-2053
17. Wells, K. L.; Hadden, D. J.; Nix, M. G. D.; Stavros, V. G. J. Phys. Chem. Lett. 2010, 1, 993-996
18. Conical Intersections: Theory, Computation and Experiment; Domcke, W.; Yarkony, D. R.; Koppel, H., Eds.; World Scientific: New Jersey, 2011; Vol. 17.
19. Sobolewski, A. L.; Domcke, W.; Dedonder-Lardeux, C.; Jouvet, C. Phys. Chem. Chem. Phys. 2002, 4, 1093-1100
20. Barbatti, M.; Aquino, A. J. A.; Szymczak, J. J.; Nachtigallova, D.; Hobza, P.; Lischka, H. Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 21453-21458
21. King, G. A.; Oliver, T. A. A.; Ashfold, M. N. R. J. Chem. Phys. 2010, 132, 214307
22. Schultz, T.; Samoylova, E.; Radloff, W.; Hertel, I. V.; Sobolewski, A. L.; Domcke, W. Science 2004, 306, 1765-1768
23. Gomez, I.; Reguero, M.; Boggio-Pasqua, M.; Robb, M. A. J. Am. Chem. Soc. 2005, 127, 7119-7129
24. Sudholt, W.; Sobolewski, A. L.; Domcke, W. Chem. Phys. 1999, 240, 9-18
25. Grabowski, Z. R.; Rotkiewicz, K.; Rettig, W. Chem. Rev. 2003, 103, 3899-4031
26. Lister, D. G.; Tyler, J. K.; Hog, J. H.; Larsen, N. W. J. Mol. Struct. 1974, 23, 253-264
27. Bacon, A. R.; Hollas, J. M. Faraday Discuss. 1988, 86, 129-141
28. Sinclair, W. E.; Pratt, D. W. J. Chem. Phys. 1996, 105, 7942-7956
29. Yeh, J. H.; Shen, T. L.; Nocera, D. G.; Leroi, G. E.; Suzuka, I.; Ozawa, H.; Namuta, Y. J. Phys. Chem. 1996, 100, 4385-4389
30. Spoerel, U.; Stahl, W. J. Mol. Spectrosc. 1998, 190, 278-289
31. Ebata, T.; Minejima, C.; Mikami, N. J. Phys. Chem. A 2002, 106, 11070-11074
32. Tseng, C. M.; Dyakov, Y. A.; Huang, C. L.; Mebel, A. M.; Lin, S. H.; Lee, Y. T.; Ni, C. K. J. Am. Chem. Soc. 2004, 126, 8760-8768
33. Bock, C. W.; George, P.; Trachtman, M. Theor. Chim. Acta 1986, 69, 235-245
34. Bludsky, O.; Sponer, J.; Leszczynski, J.; Spirko, V.; Hobza, P. J. Chem. Phys. 1996, 105, 11042-11050
35. Lopez-Tocon, I.; Della Valle, R. G.; Becucci, M.; Castellucci, E.; Otero, J. C. Chem. Phys. Lett. 2000, 327, 45-53
36. Honda, Y.; Hada, M.; Ehara, M.; Nakatsuji, H. J. Chem. Phys. 2002, 117, 2045-2052
37. Wojciechowski, P. M.; Zierkiewicz, W.; Michalska, D.; Hobza, P. J. Chem. Phys. 2003, 118, 10900-10911
38. Alabugin, I. V.; Manoharan, M.; Buck, M.; Clark, R. J. J. Mol. Struct. (THEOCHEM) 2007, 813, 21-27
39. Montero, R.; Conde, A. P.; Ovejas, V.; Martinez, R.; Castano, F.; Longarte, A. J. Chem. Phys. 2011, 135, 054308
40. Spesyvtsev, R.; Kirkby, O. M.; Vacher, M.; Fielding, H. H. Phys. Chem. Chem. Phys. 2012, 14, 9942-9947
41. Spesyvtsev, R.; Kirkby, O. M.; Fielding, H. H. Faraday Discuss. 2012, 10.1039/C2FD20076G
42. Zewail, A. H. J. Phys. Chem. A 2000, 104, 5660-5694
43. Eppink, A. T. J. B.; Parker, D. H. Rev. Sci. Instrum. 1997, 68, 3477-3484
44. Wells, K. L.; Perriam, G.; Stavros, V. G. J. Chem. Phys. 2009, 130, 074304
45. Even, U.; Jortner, J.; Noy, D.; Lavie, N.; Cossart-Magos, C. J. Chem. Phys. 2000, 112, 8068-8071
46. Roberts, G. M.; Nixon, J. L.; Lecointre, J.; Wrede, E.; Verlet, J. R. R. Rev. Sci. Instrum. 2009, 80, 053104
47. Williams, C. A.; Roberts, G. M.; Yu, H.; Evans, N. L.; Ullrich, S.; Stavros, V. G. J. Phys. Chem. A 2012, 116, 2600-2609
48. Frisch, M. J.; Gaussian 03, revision D.01; Gaussian, Inc.: Wallingford, CT, 2004.
49. Frisch, M. J.; Gaussian 09, revision A.02; Gaussian, Inc.: Wallingford, CT, 2009.
50. Stanton, J. F.; Bartlett, R. J. J. Chem. Phys. 1993, 98, 7029-7039
51. Yanai, T.; Tew, D. P.; Handy, N. C. Chem. Phys. Lett. 2004, 393, 51-57
52. Tozer, D. J.; Handy, N. C. J. Chem. Phys. 1998, 109, 10180-10189
53. Tozer, D. J.; Amos, R. D.; Handy, N. C.; Roos, B. O.; Serrano-Andres, L. Mol. Phys. 1999, 97, 859-868
54. Bernardi, F.; Celani, P.; Olivucci, M.; Robb, M. A.; Suzzivalli, G. J. Am. Chem. Soc. 1995, 117, 10531-10536
55. Boys, S. F. Rev. Mod. Phys. 1960, 32, 296-299
56. Blancafort, L.; Celani, P.; Bearpark, M. J.; Robb, M. A. Theor. Chem. Acc. 2003, 110, 92-99
57. Paterson, M. J.; Robb, M. A.; Blancafort, L.; DeBellis, A. D. J. Am. Chem. Soc. 2004, 126, 2912-2922
58. Paterson, M. J.; Robb, M. A.; Blancafort, L.; DeBellis, A. D. J. Phys. Chem. A 2005, 109, 7527-7537
59. Hause, M. L.; Yoon, Y. H.; Crim, F. F. J. Chem. Phys. 2006, 125, 174309
60. Serrano-Andres, L.; Roos, B. O. J. Am. Chem. Soc. 1996, 118, 185-195
61. Klene, M.; Robb, M. A.; Blancafort, L.; Frisch, M. J. J. Chem. Phys. 2003, 119, 713-728
62. Paterson, M. J.; Bearpark, M. J.; Robb, M. A.; Blancafort, L. J. Chem. Phys. 2004, 121, 11562-11571
63. Blancafort, L.; Gonzalez, D.; Olivucci, M.; Robb, M. A. J. Am. Chem. Soc. 2002, 124, 6398-6406
64. Wilsey, S.; Houk, K. N. J. Am. Chem. Soc. 2000, 122, 2651-2652
65. Yarkony, D. R. Rev. Mod. Phys. 1996, 68, 985-1013
66. Vieuxmaire, O. P. J.; Lan, Z.; Sobolewski, A. L.; Domcke, W. J. Chem. Phys. 2008, 129, 224307
67. Dixon, R. N.; Oliver, T. A. A.; Ashfold, M. N. R. J. Chem. Phys. 2011, 134, 194303
68. Roberts, G. M.; Chatterley, A. S.; Young, J. D.; Stavros, V. G. J. Phys. Chem. Lett. 2012, 3, 348-352
69. Iqbal, A.; Cheung, M. S. Y.; Nix, M. G. D.; Stavros, V. G. J. Phys. Chem. A 2009, 113, 8157-8163
70. Hadden, D. J.; Wells, K. L.; Roberts, G. M.; Bergendahl, L. T.; Paterson, M. J.; Stavros, V. G. Phys. Chem. Chem. Phys. 2011, 13, 10342-10349
71. Yamazaki, S.; Domcke, W.; Sobolewski, A. L. J. Phys. Chem. A 2008, 112, 11965-11968
72. Yamazaki, S.; Domcke, W. J. Phys. Chem. A 2008, 112, 7090-7097
73. Evans, N. L.; Yu, H.; Roberts, G. M.; Stavros, V. G.; Ullrich, S. Phys. Chem. Chem. Phys. 2012, 14, 10401-10409
74. Palmer, I. J.; Ragazos, I. N.; Bernardi, F.; Olivucci, M.; Robb, M. A. J. Am. Chem. Soc. 1993, 115, 673-682
75. Imaging in Molecular Dynamics: Technology and Applications. Whitaker, B. J., Ed.; Cambridge University Press: Cambridge, UK, 2003.
76. Devine, A. L.; Cronin, B.; Nix, M. G. D.; Ashfold, M. N. R. J. Chem. Phys. 2006, 125, 184302
77. Cronin, B.; Nix, M. G. D.; Qadiri, R. H.; Ashfold, M. N. R. Phys. Chem. Chem. Phys. 2004, 6, 5031-5041
78. Smits, M.; de Lange, C. A.; Ullrich, S.; Schultz, T.; Schmitt, M.; Underwood, J. G.; Shaffer, J. P.; Rayner, D. M.; Stolow, A. Rev. Sci. Instrum. 2003, 74, 4812-4817