Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Multidimensional Frictional Coupling Effect in the Photoisomerization of trans-Stilbene

  • Published : 19950500
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Abstract

A model based on two coupled generalized Langevin equations is proposed to investigate the trans-stilbene photoisomerization dynamics. In this model, a system which has two independent coordinates is considered and these two system coordinates are coupled to the same harmonic bath. The direct coupling between the system coordinates is assumed negligible and these two coordinates influence each other through the frictional coupling mediated by solvent molecules. From the Hamiltonian which is equivalent to the coupled generalized Langevin equations, we obtain the transition state theory rate constants of the stilbene photoisomerization. The rates obtained from this model are compared to experimental results in n-alkane solvents.

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References

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