Photoinduced homogeneous proton-coupled electron transfer: Model study of isotope effects on reaction dynamics

Journal of Chemical Physics

Volumn 131, Issue 15, 2009, Pages

  Venkataraman, Charulatha ^a   Soudackov, Alexander V ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DONOR AND ACCEPTOR; DONOR STATE; DYNAMICAL PROCESS; EQUILIBRIUM DISTRIBUTIONS; GROUND ELECTRONIC STATE; INITIAL STAGES; ISOTOPE EFFECT; LARGE AMPLITUDE; MODEL HAMILTONIANS; MODEL STUDY; MODEL SYSTEM; NON-ADIABATIC TRANSITIONS; NONEQUILIBRIUM STATE; NONSTATIONARY; PHOTO-INDUCED; PHYSICAL PRINCIPLES; PROTON-COUPLED ELECTRON TRANSFER; PROTON-COUPLED ELECTRON TRANSFER REACTIONS; QUALITATIVE BEHAVIOR; REACTION DYNAMICS; REDUCED-DENSITY MATRIX; VIBRATIONAL DYNAMICS; VIBRATIONAL POPULATION; VIBRATIONAL RELAXATION; VIBRATIONAL STATE; VIBRONIC STATE;

CARRIER MOBILITY; DYNAMICS; ELECTRON TRANSITIONS; ELECTRONIC STATES; ENERGY DISSIPATION; EQUATIONS OF MOTION; ISOTOPES; LEAD; MATHEMATICAL MODELS; PHOTOEXCITATION; POPULATION DYNAMICS; PROTONS; WAVE PACKETS;

PROTON TRANSFER;

ISOTOPE; PROTON;

ARTICLE; ELECTRON TRANSPORT; PHOTOCHEMISTRY; THEORETICAL MODEL;

ELECTRON TRANSPORT; ISOTOPES; MODELS, THEORETICAL; PHOTOCHEMISTRY; PROTONS;

EID: 70449435851     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3249964     Document Type: Article

References (90)

1. R. I. Cukier and D. G. Nocera, Annu. Rev. Phys. Chem. 0066-426X 49, 337 (1998). 10.1146/annurev.physchem.49.1.337
2. J. Stubbe, D. G. Nocera, C. S. Yee, and M. C. Y. Chang, Chem. Rev. (Washington, D.C.) 0009-2665 103, 2167 (2003). 10.1021/cr020421u
3. J. M. Mayer, Annu. Rev. Phys. Chem. 0066-426X 55, 363 (2004). 10.1146/annurev.physchem.55.091602.094446
4. M. H. V. Huynh and T. J. Meyer, Chem. Rev. (Washington, D.C.) 0009-2665 107, 5004 (2007). 10.1021/cr0500030 (Pubitemid 350225868)
5. J. Rosenthal and D. G. Nocera, Acc. Chem. Res. 0001-4842 40, 543 (2007). 10.1021/ar7000638
6. S. Hammes-Schiffer and A. V. Soudackov, J. Phys. Chem. B 1089-5647 112, 14108 (2008). 10.1021/jp805876e
7. M. Gratzel, Nature (London) 0028-0836 414, 338 (2001). 10.1038/35104607 (Pubitemid 33097816)
8. N. S. Lewis and D. G. Nocera, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 103, 15729 (2006). 10.1073/pnas.0603395103 (Pubitemid 44657536)
9. L. Hammarstrom, L. C. Sun, B. Akermark, and S. Styring, Catal. Today 0920-5861 58, 57 (2000). 10.1016/S0920-5861(00)00242-X (Pubitemid 30862243)
10. M. Sjodin, S. Styring, B. Akermark, L. C. Sun, and L. Hammarstrom, J. Am. Chem. Soc. 0002-7863 122, 3932 (2000). 10.1021/ja993044k (Pubitemid 30241596)
11. M. C. Y. Chang, C. S. Yee, J. Stubbe, and D. G. Nocera, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 101, 6882 (2004). 10.1073/pnas.0401718101 (Pubitemid 38596412)
12. N. H. Damrauer, J. M. Hodgkiss, J. Rosenthal, and D. G. Nocera, J. Phys. Chem. B 1089-5647 108, 6315 (2004). 10.1021/jp049296b
13. J. H. Alstrum-Acevedo, M. K. Brennaman, and T. J. Meyer, Inorg. Chem. 0020-1669 44, 6802 (2005). 10.1021/ic050904r (Pubitemid 41475954)
14. J. L. Cape, M. K. Bowman, and D. M. Kramer, J. Am. Chem. Soc. 0002-7863 127, 4208 (2005). 10.1021/ja043955g (Pubitemid 40463045)
15. M. Sjodin, S. Styring, H. Wolpher, Y. Xu, L. Sun, and L. Hammarstrom, J. Am. Chem. Soc. 0002-7863 127, 3855 (2005). 10.1021/ja044395o (Pubitemid 40411426)
16. S. Y. Reece, J. M. Hodgkiss, J. Stubbe, and D. G. Nocera, Philos. Trans. R. Soc. London, Ser. B 0962-8436 361, 1351 (2006). 10.1098/rstb.2006.1874 (Pubitemid 44338496)
17. S. Y. Reece, M. R. Seyedsayamdost, J. Stubbe, and D. G. Nocera, J. Am. Chem. Soc. 0002-7863 128, 13654 (2006). 10.1021/ja0636688 (Pubitemid 44632822)
18. M. Sjodin, T. Irebo, J. E. Utas, J. Lind, G. Merenyi, B. Akermark, and L. Hammarstrom, J. Am. Chem. Soc. 0002-7863 128, 13076 (2006). 10.1021/ja063264f (Pubitemid 44527677)
19. T. Irebo, S. Y. Reece, M. Sjodin, D. G. Nocera, and L. Hammarstrom, J. Am. Chem. Soc. 0002-7863 129, 15462 (2007). 10.1021/ja073012u
20. S. Y. Reece, M. R. Seyedsayamdost, J. Stubbe, and D. G. Nocera, J. Am. Chem. Soc. 0002-7863 129, 13828 (2007). 10.1021/ja074452o (Pubitemid 350106070)
21. R. I. Cukier, J. Phys. Chem. 0022-3654 98, 2377 (1994). 10.1021/j100060a027
22. R. I. Cukier, J. Phys. Chem. 0022-3654 100, 15428 (1996). 10.1021/jp961025g
23. A. Soudackov and S. Hammes-Schiffer, J. Chem. Phys. 0021-9606 111, 4672 (1999). 10.1063/1.479229
24. A. Soudackov and S. Hammes-Schiffer, J. Chem. Phys. 0021-9606 113, 2385 (2000). 10.1063/1.482053 (Pubitemid 30908707)
25. S. Hammes-Schiffer, Acc. Chem. Res. 0001-4842 34, 273 (2001). 10.1021/ar9901117
26. S. Hammes-Schiffer and N. Iordanova, Biochim. Biophys. Acta 0006-3002 1655, 29 (2004). 10.1016/j.bbabio.2003.07.009 (Pubitemid 38526162)
27. A. Soudackov, E. Hatcher, and S. Hammes-Schiffer, J. Chem. Phys. 0021-9606 122, 014505 (2005). 10.1063/1.1814635 (Pubitemid 41047777)
28. D. Borgis and J. T. Hynes, J. Chem. Phys. 0021-9606 94, 3619 (1991). 10.1063/1.459733
29. A. Suarez and R. Silbey, J. Chem. Phys. 0021-9606 94, 4809 (1991). 10.1063/1.460565
30. R. D. Coalson, D. G. Evans, and A. Nitzan, J. Chem. Phys. 0021-9606 101, 436 (1994). 10.1063/1.468153
31. D. G. Evans and R. D. Coalson, J. Chem. Phys. 0021-9606 102, 5658 (1995). 10.1063/1.469297
32. Y. J. Yan, L. E. Fried, and S. Mukamel, J. Phys. Chem. 0022-3654 93, 8149 (1989). 10.1021/j100362a006
33. Y. Tanimura and P. G. Wolynes, Phys. Rev. A 1050-2947 43, 4131 (1991). 10.1103/PhysRevA.43.4131
34. Y. Tanimura and S. Mukamel, Phys. Rev. E 1063-651X 47, 118 (1993). 10.1103/PhysRevE.47.118
35. Y. Tanimura and S. Mukamel, J. Chem. Phys. 0021-9606 101, 3049 (1994). 10.1063/1.467618
36. A. Ishizaki and Y. Tanimura, J. Chem. Phys. 0021-9606 123, 014503 (2005). 10.1063/1.1906215 (Pubitemid 41037064)
37. Y. Tanimura, J. Phys. Soc. Jpn. 0031-9015 75, 082001 (2006). 10.1143/JPSJ.75.082001
38. J. M. Jean, R. A. Friesner, and G. R. Fleming, J. Chem. Phys. 0021-9606 96, 5827 (1992). 10.1063/1.462858
39. V. May and M. Schreiber, Phys. Rev. A 1050-2947 45, 2868 (1992). 10.1103/PhysRevA.45.2868
40. V. May, O. Kuhn, and M. Schreiber, J. Phys. Chem. 0022-3654 97, 12591 (1993). 10.1021/j100150a021
41. O. Kuhn, V. May, and M. Schreiber, J. Chem. Phys. 0021-9606 101, 10404 (1994). 10.1063/1.467921
42. W. T. Pollard and R. A. Friesner, J. Chem. Phys. 0021-9606 100, 5054 (1994). 10.1063/1.467222
43. B. Wolfseder and W. Domcke, Chem. Phys. Lett. 0009-2614 235, 370 (1995). 10.1016/0009-2614(95)00134-P
44. W. T. Pollard, A. K. Felts, and R. A. Friesner, Adv Chem Phys. 93, 77 (1996). 10.1002/9780470141526.ch3
45. B. Wolfseder and W. Domcke, Chem. Phys. Lett. 0009-2614 259, 113 (1996). 10.1016/0009-2614(96)00715-4
46. B. Wolfseder, L. Seidner, W. Domcke, G. Stock, M. Seel, S. Engleitner, and W. Zinth, Chem. Phys. 0301-0104 233, 323 (1998). 10.1016/S0301-0104(98) 00132-3 (Pubitemid 128111767)
47. D. Egorova, A. Kuhl, and W. Domcke, Chem. Phys. 0301-0104 268, 105 (2001). 10.1016/S0301-0104(01)00293-2 (Pubitemid 32525892)
48. U. Kleinekathöfer, I. Kondov, and M. Schreiber, Chem. Phys. 0301-0104 268, 121 (2001). 10.1016/S0301-0104(01)00288-9 (Pubitemid 32525893)
49. D. Egorova, M. Thoss, W. Domcke, and H. B. Wang, J. Chem. Phys. 0021-9606 119, 2761 (2003). 10.1063/1.1587121
50. D. Egorova and W. Domcke, Chem. Phys. Lett. 0009-2614 384, 157 (2004). 10.1016/j.cplett.2003.11.088
51. Y. C. Cheng and R. J. Silbey, J. Phys. Chem. B 1089-5647 109, 21399 (2005). 10.1021/jp051303o
52. A. Garg, J. N. Onuchic, and V. Ambegaokar, J. Chem. Phys. 0021-9606 83, 4491 (1985). 10.1063/1.449017
53. C. Aslangul, N. Pottier, and D. Saintjames, J. Phys. (Paris) 0302-0738 47, 1657 (1986).
54. H. Dekker, Phys. Rev. A 1050-2947 35, 1436 (1987). 10.1103/PhysRevA.35. 1436
55. A. J. Leggett, S. Chakravarty, A. T. Dorsey, M. P. A. Fisher, A. Garg, and W. Zwerger, Rev. Mod. Phys. 0034-6861 59, 1 (1987). 10.1103/RevModPhys.59.1
56. N. Makri and W. H. Miller, J. Chem. Phys. 0021-9606 91, 4026 (1989). 10.1063/1.456833
57. D. Vitali and P. Grigolini, Phys. Rev. A 1050-2947 42, 7091 (1990). 10.1103/PhysRevA.42.7091
58. D. G. Evans and R. D. Coalson, J. Chem. Phys. 0021-9606 99, 6264 (1993). 10.1063/1.465891
59. M. Winterstetter and W. Domcke, Phys. Rev. A 1050-2947 47, 2838 (1993). 10.1103/PhysRevA.47.2838
60. R. Egger and C. H. Mak, Phys. Rev. B 0163-1829 50, 15210 (1994). 10.1103/PhysRevB.50.15210
61. R. Egger and C. H. Mak, J. Phys. Chem. 0022-3654 98, 9903 (1994). 10.1021/j100090a027
62. D. E. Makarov and N. Makri, Chem. Phys. Lett. 0009-2614 221, 482 (1994). 10.1016/0009-2614(94)00275-4
63. N. Makri, E. Sim, D. E. Makarov, and M. Topaler, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 93, 3926 (1996). 10.1073/pnas.93.9.3926 (Pubitemid 26144224)
64. M. Topaler and N. Makri, J. Phys. Chem. 0022-3654 100, 4430 (1996). 10.1021/jp951673k
65. D. G. Evans, A. Nitzan, and M. A. Ratner, J. Chem. Phys. 0021-9606 108, 6387 (1998). 10.1063/1.476045
66. K. M. Forsythe and N. Makri, Phys. Rev. B 0163-1829 60, 972 (1999). 10.1103/PhysRevB.60.972
67. H. Jirari and W. Potz, Phys. Rev. A 1050-2947 74, 022306 (2006). 10.1103/PhysRevA.74.022306 (Pubitemid 44188359)
68. E. Neria and A. Nitzan, J. Chem. Phys. 0021-9606 99, 1109 (1993). 10.1063/1.465409
69. G. Stock, J. Chem. Phys. 0021-9606 103, 1561 (1995). 10.1063/1.469778
70. X. Sun, H. B. Wang, and W. H. Miller, J. Chem. Phys. 0021-9606 109, 7064 (1998). 10.1063/1.477389 (Pubitemid 128674371)
71. H. B. Wang, X. Y. Song, D. Chandler, and W. H. Miller, J. Chem. Phys. 0021-9606 110, 4828 (1999). 10.1063/1.478388
72. M. Thoss, H. B. Wang, and W. H. Miller, J. Chem. Phys. 0021-9606 115, 2991 (2001). 10.1063/1.1385562
73. H. B. Wang, M. Thoss, and W. H. Miller, J. Chem. Phys. 0021-9606 115, 2979 (2001). 10.1063/1.1385561
74. M. Thoss and H. Wang, Chem. Phys. Lett. 0009-2614 358, 298 (2002). 10.1016/S0009-2614(02)00624-3
75. M. Thoss, W. Domcke, and H. B. Wang, Chem. Phys. 0301-0104 296, 217 (2004). 10.1016/j.chemphys.2003.08.029
76. M. Thoss and H. Wang, Chem. Phys. 0301-0104 322, 210 (2006). 10.1016/j.chemphys.2005.07.011
77. J. C. Tully and R. K. Preston, J. Chem. Phys. 0021-9606 55, 562 (1971). 10.1063/1.1675788
78. W. H. Miller and T. F. George, J. Chem. Phys. 0021-9606 56, 5637 (1972). 10.1063/1.1677083
79. M. F. Herman, J. Chem. Phys. 0021-9606 76, 2949 (1982). 10.1063/1.443388
80. J. C. Tully, J. Chem. Phys. 0021-9606 93, 1061 (1990). 10.1063/1.459170
81. A. G. Redfield, in Advances in Magnetic Resonance, edited by, J. S. Waugh, (Academic, New York, 1965), Vol. 1, p. 1.
82. K. Blum, Density Matrix Theory and Applications (Plenum, New York, London, 1996).
83. U. Weiss, Quantum Dissipative Systems (World Scientific, Singapore, 2008).
84. G. D. Mahan, Many Particle Physics (Kluwer Academic/Plenum, New York, 2000).
85. I. Navrotskaya, A. V. Soudackov, and S. Hammes-Schiffer, J. Chem. Phys. 0021-9606 128, 244712 (2008). 10.1063/1.2940203
86. R. Zwanzig, Nonequilibrium Statistical Mechanics (Oxford University Press, New York, 2001).
87. M. Abramowitz and I. A. Stegun, Handbook of Mathematical functions (Dover, New York, 1975).
88. W. E. Arnoldi, Q. Appl. Math. 9, 17 (1951).
89. C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, " Dynamics of Photoinduced Proton-Coupled Electron Transfer at Molecule-Semiconductor Interfaces: A Reduced Density Matrix Approach.," J. Phys. Chem C (submitted).
90. B. Li, J. Zhao, K. Onda, K. D. Jordan, J. L. Yang, and H. Petek, Science 0036-8075 311, 1436 (2006). 10.1126/science.1122190 (Pubitemid 43376692)