Fokker-Planck interpretation of picosecond intramolecular dynamics in solutions

McCaskill, John S. and Gilbert, Robert G. (1979) Fokker-Planck interpretation of picosecond intramolecular dynamics in solutions. Chemical Physics, 44 3: 389-402. doi:10.1016/0301-0104(79)85222-2

Author McCaskill, John S.
Gilbert, Robert G.
Title Fokker-Planck interpretation of picosecond intramolecular dynamics in solutions
Journal name Chemical Physics   Check publisher's open access policy
ISSN 0301-0104
Publication date 1979-12-01
Year available 1979
Sub-type Article (original research)
DOI 10.1016/0301-0104(79)85222-2
Open Access Status Not Open Access
Volume 44
Issue 3
Start page 389
End page 402
Total pages 14
Place of publication Amsterdam, Netherlands
Publisher Elsevier
Language eng
Abstract The application of the unabbreviated Fokker-Planck equation to the interpretation of conformational relaxation in solution is discussed. The model incorporates a coupling between viscous and inertial effects in addition to thermally induced motion for the description of the rate coefficient for passage over the barrier in a double-minimum potential. With viscous effects evaluated by hydrodynamics, including hydrodynamic interaction, and a conformational potential determined from spectroscopic and computational data, the model successfully interprets the non-linear viscosity/relaxation time dependence observed in 1,1-binaphthyl A criterion is derived for the applicability of the simpler Smoluchowski equation for such a system, showing that this equation is invalid for the binaphthyl conformation change.
Keyword Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemistry and Molecular Biosciences
Centre for Nutrition and Food Sciences Publications
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Citation counts: TR Web of Science Citation Count  Cited 102 times in Thomson Reuters Web of Science Article | Citations
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Created: Tue, 08 Mar 2011, 01:52:51 EST