Photo-induced electron transfer between Ruthenium (II)‎ tris-(2, 2-bipyrdine)‎ and methyl viologen

Abstract EN

Electron transfer (ET) reactions represent an elementary chemical process which occurs in a large variety of molecules, ranging from small ion pairs up to large biological sy stem.

A theoretical study of photo – induced electron transfer between Ruthenium (II) tirs -( 2,2 - bipyrdine ) Ru(bpy) 2 3 and Methy l Viologen MV2+ in a variety of Solvents at room temperature is presented .

This study is based on an optical activation by the absorption of light .The Solvent is described by a dielectric continuum model, and the transferring is represented by a quantum mechanical wave function .

In this application, the reorganization energy  , the driving free energy G , and the activation free energy G ‡ are calculated with semi classical model .

The electronic coupling for the electron transfer DA V reaction is taken from Mulliken –Hush method, and the rate of electron transfer KET in 2 2 3 Ru(bpy) MV system are calculated with a quantum mechanical model.

Our calculation results for the electron transfer in 2 2 3 Ru(bpy) MV system show a good agreement with the experimentally observed results .