Pump-shaped dump optimal control reveals the nuclear reaction pathway of isomerization of a photoexcited cyanine dye

Journal of the American Chemical Society

Volumn 129, Issue 43, 2007, Pages 13014-13021

  Dietzek, Benjamin ^a,b   Brüggemann, Ben ^a,c   Pascher, Torbjörn ^a   Yartsev, Arkady ^a  

^a LUND UNIVERSITY   (Sweden)

^b MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^c HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; CHEMICAL REACTIONS; EXCITED STATES; MOLECULAR DYNAMICS; PHOTOEXCITATION; PHOTOISOMERIZATION;

FRANCK CONDON POINT; NUCLEAR MOTIONS; OPTICALLY ACTIVE VIBRATION; TORSION COORDINATE;

DYES;

CYANINE DYE;

ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; EXCITATION; ISOMERIZATION; MOLECULAR DYNAMICS; VIBRATION;

CARBOCYANINES; ISOMERISM; KINETICS; MODELS, MOLECULAR; PHOTOCHEMISTRY;

EID: 35848938505     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja072639+     Document Type: Article

References (58)

1. Sundstrom, V. Prog. Quantum Electron. 2000, 24, 187-238.
2. Schoenlein, R. W.; Peteanu, L. A.; Mathies, R. A.; Shank, C. V. Science 1991, 254, 412-415.
3. Gai, F.; Hasson, K. C.; McDonald, J. C.; Anfinrud, P. A. Science 1998, 279, 1886-1891.
4. Rockwell, N. C.; Su, Y. S.; Lagarias, J. C. Annu. Rev. Plant Biol. 2006, 57, 837-858.
5. Tamai, N.; Miyasaka, H. Chem. Rev. 2000, 100, 1875-1890.
6. Ikeda, T.; Tsutsumi, O. Science 1995, 268, 1873-1875.
7. Kukura, P.; McCamant, D. W.; Yoon, S.; Wandschneider, D. B.; Mathies, R. A. Science 2005, 310, 1006-1009.
8. Prokhorenko, V. I.; Nagy, A. M.; Waschuk, S. A.; Brown, L. S.; Birge, R. R.; Miller, R. J. D. Science 2006, 313, 1257-1261.
9. Gonzalez-Luque, R.; Garavelli, M.; Bernardi, F.; Merchan, M.; Robb, M. A.; Olivucci, M. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 9379-9384.
10. Cembran, A.; Bernardi, F.; Olivucci, M.; Garavelli, M. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6255-6260.
11. Garavelli, M.; Celani, P.; Bernardi, F.; Robb, M. A.; Olivucci, M. J. Am. Chem. Soc. 1997, 119, 6891-6901.
12. Sanchez-Galvez, A.; Hunt, P.; Robb, M. A.; Olivucci, M.; Vreven, T.; Schlegel, H. B. J. Am. Chem. Soc. 2000, 122, 2911-2924.
13. Improta, R.; Santoro, F. J. Chem. Theory Comput. 2005, 1, 215-229.
14. Vogt, G.; Krampen, G.; Nikiaus, P.; Nuernberger, P.; Gerber, G. Phys. Rev. Lett. 2005, 94.
15. Dietzek, B.; Bruggemann, B.; Pascher, T.; Yartsev, A. Phys. Rev. Lett. 2006, 97, 258301.
16. Judson, R. S.; Rabitz, H. Phys. Rev. Lett. 1992, 68, 1500-1503.
17. Bardeen, C. J.; Yakovlev, V. V.; Wilson, K. R.; Carpenter, S. D.; Weber, P. M.; Warren, W. S. Chem. Phys. Lett. 1997, 280, 151-158.
18. Assion, A.; Baumert, T.; Bergt, M.; Brixner, T.; Kiefer, B.; Seyfried, V.; Strehle, M.; Gerber, G. Science 1998, 282, 919-922.
19. Brixner, T.; Damrauer, N. H.; Niklaus, P.; Gerber, G. Nature 2001, 414, 57-60.
20. Brixner, T.; Gerber, G. ChemPhysChem 2003, 4, 418-438.
21. Herek, J. L.; Wohlleben, W.; Cogdell, R. J.; Zeidler, D.; Motzkus, M. Nature 2002, 417, 533-535.
22. Geppert, D.; Seyfarth, L.; de Vivie-Riedle, R. Appl. Phys. B 2004, 79, 987-992.
23. Manz, J.; Sundermann, K.; de Vivie-Riedle, R. Chem. Phys. Lett. 1998, 290, 415-422.
24. Daniel, C.; Full, J.; Gonzalez, L.; Lupulescu, C.; Manz, J.; Merli, A.; Vajda, S.; Woste, L. Science 2003, 299, 536-539.
25. Weinacht, T. C.; Ahn, J.; Bucksbaum, P. H. Nature 1999, 397, 233-235.
26. Bruggemann, B.; Organero, J. A.; Pascher, T.; Pullerits, T.; Yartsev, A. Phys. Rev. Lett. 2006, 97, 208301.
27. Meshulach, D.; Silberberg, Y. Nature 1998, 396, 239-242.
28. Dudovich, N.; Oron, D.; Silberberg, Y. Nature 2002, 418, 512-514.
29. Tannor, D. J.; Rice, S. A. J. Chem. Phys. 1985, 83, 5013-5018.
30. Tannor, D. J.; Kosloff, R.; Rice, S. A. J. Chem. Phys. 1986, 85, 5805-5820.
31. Tannor, D. J.; Rice, S. A. Adv. Chem. Phys. 1988, 70, 441-523.
32. Vogt, G.; Nuernberger, P.; Selle, R.; Dimler, F.; Brixner, T.; Gerber, G. Phys. Rev. A 2006, 74, 033413.
33. Cerullo, G.; Bardeen, C. J.; Wang, Q.; Shank, C. V. Chem. Phys. Lett. 1996, 262, 362-368.
34. Dietzek, B.; Pascher, T.; Yartsev, A. J. Phys. Chem. B 2007, 111, 6034-6041.
35. Hunt, P. A.; Robb, M. A. J. Am. Chem. Soc. 2005, 127, 5720-5726.
36. Vogt, G.; Nuernberger, P.; Brixner, T.; Gerber, G. Chem. Phys. Lett. 2006, 433, 211-215.
37. Gai, F.; McDonald, J. C.; Anfinrud, P. A. J. Am. Chem. Soc. 1997, 119, 6201-6202.
38. Buckup, T.; Savolainen, J.; Wohlleben, W.; Herek, J. L.; Hashimoto, H.; Correia, R. R. B.; Motzkus, M. J. Chem. Phys. 2006, 125.
39. Larsen, D. S.; van Stokkum, I. H. M.; Vengris, M.; van der Horst, M. A.; de Weerd, F. L.; Hellingwerf, K. J.; van Grondelle, R. Biophys. J. 2004, 87, 1858-1872.
40. Rabitz, H.; de Vivie-Riedle, R.; Motzkus, M.; Kompa, K. Science 2000, 288, 824-828.
41. Brumer, P.; Shapiro, M. Annu. Rev. Phys. Chem. 1992, 43, 257-282.
42. Gruner, D.; Brumer, P.; Shapiro, M. J. Phys. Chem. 1992, 96, 281-290.
43. Dietzek, B.; Yartsev, A.; Tarnovsky, A. N. J. Phys. Chem. B 2007, 111, 4520-4526.
44. Weiner, A. M. Rev. Sci. Instrum. 2000, 71, 1929-1960.
45. Trebino, R.; DeLong, K. W.; Fittinghoff, D. N.; Sweetser, J. N.; Krumbugel, M. A.; Richman, B. A.; Kane, D. J. Rev. Sci. Instrum. 1997, 68, 3277-3295.
46. Rentsch, S. K. Chem. Phys. 1982, 69, 81-87.
47. -5. Thus, 0.16/0.70 = 22%.
48. Yartsev, A.; Alvarez, J. L.; Aberg, U.; Sundstrom, V. Chem. Phys. Lett. 1995, 243, 281-289.
49. See Supporting Information
50. Using the optimized pulse train, about 18% more efficient dumping as compared to the use of the reference dump was achieved. This corresponds to 15% = 18% x (1 - 0.15) more efficient dumping when referenced to the ΔA signal without any dump. So the efficiency of the optimized pulse compared to the reference pulse is equal to the total dumping, i.e., dumping of reference pulse (15%) and dumping compared to reference pulse (0.15%), divided by the dumping of the reference pulse, i.e., 15%. Thus the optimized pulse is twice as efficient in dumping compared to the 500-fs delayed reference pulse. Compared to the dumping efficiency of an optimally timed, transform limited reference pulse, optimal control results in dump-pulse shapes whose dump efficiency is still (0.15 + 0.15)/0.22 ≈ 1.4 times larger.
51. Care was taken to ensure the reproducibility of the critical features of the optimized pulses as discussed in this manuscript. The appearance of the pre- and postpulse structures with the characteristic spectral contents was observed in three independent experimental runs.
52. Prokhorenko, V. I.; Nagy, A. M.; Miller, R. J. D. J. Chem. Phys. 2005, 122.
53. Dhar, L.; Rogers, J. A.; Nelson, K. A. Chem. Rev. 1994, 94, 157-193.
54. Dietzek, B.; Grafe, S.; Schmitt, M.; Yartsev, A.; Pascher, T.; Sundstrom, V.; Kiefer, W.; Ivanov, M. Y. Phys. Rev. Lett. 2007, 98, 187402.
55. Frisch, M. J., et al. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
56. -1 mode, which is excited by stimulated Raman scattering in the ground-state potential, will not be affected by this fact.
57. Papastathopoulos, E.; Strehle, M.; Gerber, G. Chem. Phys. Lett. 2005, 408, 65-70.
58. Bardeen, C. J.; Yakovlev, V. V.; Squier, J. A.; Wilson, K. R. J. Am. Chem. Soc. 1998, 120, 13023-13027.