Dielectric friction effects on rotational reorientation of three cyanine dyes in n-alcohol solutions
- 15 November 1997
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 107 (19) , 7601-7612
- https://doi.org/10.1063/1.475109
Abstract
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 -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.
Keywords
This publication has 95 references indexed in Scilit:
- Temperature-Dependent Rotational Relaxation of Diphenylbutadiene in n-Alcohols: A Test of the Quasihydrodynamic Free Space ModelThe Journal of Physical Chemistry, 1994
- A Test of Dielectric Friction Models. Rotational Diffusion of Fluorenes in Dimethyl sulfoxideThe Journal of Physical Chemistry, 1994
- Molecular reorientation dynamics of polar dye probes in tertiary-butyl alcohol–water mixturesThe Journal of Chemical Physics, 1991
- Rotational reorientation dynamics of polar dye molecular probes by picosecond laser spectroscopic techniqueThe Journal of Chemical Physics, 1990
- The solute size effect in rotational diffusion experiments: A test of microscopic friction theoriesThe Journal of Chemical Physics, 1988
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Dielectric friction and molecular reorientationThe Journal of Physical Chemistry, 1982
- Picosecond pulse induced transient molecular birefringence and dichroismThe Journal of Chemical Physics, 1981
- Theory of Dielectric Relaxation in Polar LiquidsThe Journal of Chemical Physics, 1970
- Refinement of protein conformations using a macromolecular energy minimization procedureJournal of Molecular Biology, 1969