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Volumn 112, Issue 29, 2008, Pages 10988-11000

Charge transfer in donor-bridge-acceptor systems: Static disorder, dynamic fluctuations, and complex kinetics

Author keywords

[No Author keywords available]

Indexed keywords

BRIDGES; CHARGE TRANSFER; CHLORINE COMPOUNDS; MASS TRANSFER;

EID: 49149086550     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp801646g     Document Type: Article
Times cited : (119)

References (151)
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    • Balzani, V., Piotrowiak, P., Rodgers, M. A. J., Mattay, J., Astruc, D., Gray, H. B., Winkler, J., Fukuzumi, S., Mallouk, T. E., Haas, Y., de Silva, A. P., Gould, I., Eds.; Electron Transfer in Chemistry; Wiley-VCH Verlag GmbH: Weinheim, 2001; Vols. 1-5.
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    • (1997) Molecular Electronics , pp. 5-72
    • Ratner, M.A.1    Jortner, J.2
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    • See, e.g., reviews published in Top. Curr. Chem.; Schuster, G. B., Ed.; Springer: Berlin, 2004; Vols. 236 and 237and references therein.
    • See, e.g., reviews published in Top. Curr. Chem.; Schuster, G. B., Ed.; Springer: Berlin, 2004; Vols. 236 and 237and references therein.
  • 22
    • 2342529664 scopus 로고    scopus 로고
    • Weiss, E. A.; Ahrens, M.;J.; Sinks, L. E.; Gusev, A. V.; Ratner, M. A.; Wasielewski, M. R. J. Am. Chem. Soc. 2004, 126, 5577-5584.
    • Weiss, E. A.; Ahrens, M.;J.; Sinks, L. E.; Gusev, A. V.; Ratner, M. A.; Wasielewski, M. R. J. Am. Chem. Soc. 2004, 126, 5577-5584.
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    • CT hereinafter is referred to as a rate coefficient.
    • CT hereinafter is referred to as a rate coefficient.
  • 36
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    • For various applications of the Condon approximation in optical spectroscopy and their theoretical analysis, see: Mukamel, S. Principles of Nonlinear Optical Spectroscopy; Oxford University Press: New York-Oxford, 1995
    • For various applications of the Condon approximation in optical spectroscopy and their theoretical analysis, see: Mukamel, S. Principles of Nonlinear Optical Spectroscopy; Oxford University Press: New York-Oxford, 1995.
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    • Kluwer Academic Publishers: Dordrecht, andreferences therein
    • Plonka, A. Dispersive Kinetics; Kluwer Academic Publishers: Dordrecht, 2001 andreferences therein.
    • (2001) Dispersive Kinetics
    • Plonka, A.1
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    • and references therein. See
    • See Berlin, Y. A. Chem. Phys. 1996, 212, 29-39, and references therein.
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    • (c) Ratner, M. A. Nature 1999, 397, 480-481.
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    • Klafter, J, Jortner, J, Blumen, A, Eds, World Scientific: Singapore
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    • ibid. 2006, 4, 6489.
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    • Note that at Δε/〈V〉, 2 calculations for disordered D-B-A systems are time-consuming and become impractical at larger Δε/〈V〉 values. This can be easily understood since to obtain reliable data on the effect of disorder on the CT kinetics, computer simulations should be performed within the time window in which the survival probability, P(t, drops at least by one order of magnitude. Furthermore, the duration of calculations strongly increases with the width, Δt, of this window, which, in turn, rapidly increases with the falloff parameter β and, hence, with Δε/〈V〉, Δε/ V (see Figure 4, As a consequence, for Δε/〈V〉 the width Δt becomes so large that our computational facilities do not allow us to calculate the time dependence P(t) for reasonable time. That is why up to now we can simulate the decay transients for the D-B-A systems with torsional disorder only in the case wher
    • Note that at Δε/〈V〉 = 2 calculations for disordered D-B-A systems are time-consuming and become impractical at larger Δε/〈V〉 values. This can be easily understood since to obtain reliable data on the effect of disorder on the CT kinetics, computer simulations should be performed within the time window in which the survival probability, P(t), drops at least by one order of magnitude. Furthermore, the duration of calculations strongly increases with the width, Δt, of this window, which, in turn, rapidly increases with the falloff parameter β and, hence, with Δε/〈V〉 = Δε/ V (see Figure 4). As a consequence, for Δε/〈V〉 the width Δt becomes so large that our computational facilities do not allow us to calculate the time dependence P(t) for reasonable time. That is why up to now we can simulate the decay transients for the D-B-A systems with torsional disorder only in the case where Δε/〈V〉 does not exceed two (see examples on Figures 5 and 6), while for ordered systems numerical results are available for larger values Δε/〈V〉 = Δε/V (see Figures 2 and 3).


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