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Effect of the Molecular Shapes of the Donor and the Acceptor on Electron Transfer Rates

T. Kato and M. Tachiya
[Chem. Phys. Lett., Vol.241(4), pp. 463-468, 1995]


Electron transfer reactions between a disk-shaped donor and acceptor are theoretically studied. The organization energy and the first-order and the second-order rate constants are calculated and compared with those for the case of a spherical donor and acceptor. The energy gap dependence of the second-order rate constant obtained for the disk-shaped donor and acceptor is compared with the experimental result of Rehm and Weller (Fig. 1). The reorganization energy and the first-order rate constant are also calculated for the case where a donor and an acceptor are connected through a spacer.

Fig.1
Fig. 1. Comparison of the energy gap dependence of the second-order rate constant ks, for the disk model (full line) with the experimental result of Rehm and Weller (circles). The broken line shows the result for the sphere model with the same volume.


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