6533b829fe1ef96bd128a152
RESEARCH PRODUCT
Dielectric friction effects on rotational reorientation of three cyanine dyes in n-alcohol solutions
Jouko Korppi-tommolaEira LaitinenJuha Linnantosubject
ChemistryAb initioPhysics::OpticsGeneral Physics and AstronomyDielectricMolecular physicsCondensed Matter::Materials Sciencechemistry.chemical_compoundDipoleAb initio quantum chemistry methodsComputational chemistryExcited stateMolecular orbitalPhysics::Chemical PhysicsPhysical and Theoretical ChemistryCyanineCis–trans isomerismdescription
We have estimated the effect of dielectric friction on the rotational correlation times of three cationic cyanine dyes. Dielectric corrections were evaluated by using the Stokes–Einstein-Debye hydrodynamic continuum model including the dielectric friction for DiIC2, DiIC6, and DiIC14 in different n-alcohol solutions at room temperature. The dielectric corrections were done to cis and trans conformations of the cyanine dyes. For the trans conformations, which were found more stable than cis conformations, the dielectric model seemed to be more properly suited. The ground and excited state dipole moments for the calculations were evaluated from ab initio molecular orbital calculations and for the excited state experimentally from the Lippert–Mataga plots.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1997-11-15 | The Journal of Chemical Physics |