Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
111 (1999), S. 3616-3622
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We present classical molecular dynamics simulations of the solvation dynamics of a strongly polar dye molecule in a weakly polar solvent. Solvation times and amplitudes are compatible with recent measurements. Several differences in the solvation dynamics relative to the widely studied case of strong polar solvents are exhibited: lesser importance of the inertial component of the Stokes shift, relaxation times close to individual solvent reorientational times, instead of the longitudinal relaxation time of the solvent, large amplitudes of translational and orientational relaxation over about 10 ps and the presence of a long-lived solvation shell in the excited state. © 1999 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.479641
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