Abstract
Charge transfer in styryl dyes STQ-1, STQ-2,and STQ-3 with organic media system has been studied theoretically depending on the Franck- Condon rule and continuum dielectric model . The reorientation energies (eV) were evaluated theoretically depending on dipole momentum, dielectric constant , and refrective index n. The rate constant of charge transfer has been calculated depending on the reorientation energy (eV) ,effective free energy , potential height barrier , and coupling coefficient . A matlap program has been written to calculated the rate constant of charge transfer and other parameter. The results of calculations show that STQ-2 dye is more reaction for charge transfer compare with STQ-1 and STQ-3 dyes
Highlights
Charge transfer (CT)reactions are a boundant in chemistry and biology [1]
Dyes, and the dipole moment of charge transfer taken from table (1) with and n are the static dielectric constant and refractive index for solvent from table (2).Results are summarized in the table(3)
The Golden rule expression and the continuum model for reorientation energy applied in our theoretical studies of charge transfer reactions in dye –organic media provide a constant value for the reaction
Summary
Charge transfer (CT)reactions are a boundant in chemistry and biology [1]. Studies on charge transfer in organic molecular systems have witnessed rapid growth in recently years[2]. For electron transfer in solution, we most commonly consider electron transfer to progress along a solvent rearrangement coordinate in which solvent reorganizes its configuration so that dipoles overcharges help to stabilize the extra negative charge the accepter site[6].The study charge transfer in organic media system become very active area in research in recent years ago. In our study the styryl dyes with charge donor – acceptor transfer on either side of the stryly bond is particular attractive for optical and electronic properties.
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