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Effect of the excitation pulse frequency on the ultrafast photoinduced electron transfer dynamics
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10.1063/1.1844371
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1 Department of Physics, Volgograd State University, University Avenue, 100, Volgograd 400062, Russia
J. Chem. Phys. 122, 064501 (2005)
/content/aip/journal/jcp/122/6/10.1063/1.1844371
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/6/10.1063/1.1844371
View: Figures

## Figures

FIG. 1.

Configuration of the electronic terms. The dashed circles , the solid circles and are the equipotential curves of the ground, excited, and charge transferred states, correspondingly. and are the reaction coordinates of the optical transition and PET, respectively. The crossing line between the terms and is labeled as . are coordinates of the initial positions of term minima. The shaded ellipses show the initial positions and the forms of the wave packets produced by the pump pulses with the frequencies at half the absorption band maximum.

FIG. 2.

Dependence of the logarithm of the effective ET rate (in ) on the carrier frequency for different values of . The parameters used here are , , , , and ; (1) ; (2) ; (3) ; (4) ; (5) ; and (6) .

FIG. 3.

Spectral effect as a function of the angle . The parameters used here are , , , and ; (1) ; (2) . The single mode model (, solid lines); the hybrid model (, , , , dashed lines). All energies are in electronvolts.

FIG. 4.

Spectral effect according to the hybrid model as a function of PET free energy . The parameters used here are , , , , , , , , , , , , and ; (1) ; (2) ; (3) ; (4) . All energies are in electronvolts.

FIG. 5.

Spectral effect as a function of the angle for single mode model. (1) , ; (2) , ; (3) , ; (4) , . The other parameters used here are , , , and ; . All energies are in electronvolts.

FIG. 6.

Geometry of the charge transfer. , , and stand for the radii of the cavities in the ground, excited, and charge separated states, respectively. is the angle between two vectors of the charge transfer steps. are the distances between the cavity centers.

FIG. 7.

Dependence of the angle on the geometry parameters of the charge transfer according to Eq. (A9). The parameters used are ; (1) , ; (2) , , ; (3) , , ; (4) , , ; (5) , , . The dashed curve 1 is a special case because there is overlapping of the cavities for .

/content/aip/journal/jcp/122/6/10.1063/1.1844371
2005-01-25
2014-04-25

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