Kinetics of fluorescence quenching for electron transfer and for energy transfer: molecular dynamics tests for spherical molecules

Marek Litniewski; Jerzy Gorecki

doi:10.1063/1.1901657

Kinetics of fluorescence quenching for electron transfer and for energy transfer: molecular dynamics tests for spherical molecules

J Chem Phys. 2005 May 22;122(20):204504. doi: 10.1063/1.1901657.

Authors

Marek Litniewski¹, Jerzy Gorecki

Affiliation

¹ Institute of Physical Chemistry of the Polish Academy of Science, Kasprzaka 44/52, 01-224 Warszawa, Poland.

PMID: 15945749
DOI: 10.1063/1.1901657

Abstract

The Smoluchowski approach to description of fluorescence quenching is tested by comparing the theory with computer simulations for the case of spherical molecules. The distance dependent sink terms describing the electron transfer mechanism and the Forster model for the energy transfer are considered. It is shown that the agreement between the rate coefficient from the model and from simulations depends on the strength of the solute-solvent interactions as well as on the speed of reaction itself. Comparing results of simulations for different quencher concentrations we estimate the strength of quencher concentration dependence effect and the range of times the effect may be significant. In the long time limit the increase in quencher concentration decreased the rate coefficient.