Abstract
As an exercise in our ongoing efforts to understand the solute–solvent frictional coupling, hydrogen bonding interactions between the probe 1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole and associative solvents such as n-alcohols, formamide and N-methylformamide are modeled as dielectric friction using Alavi–Waldeck (AW) extended charge distribution theory. The mechanical friction experienced by the probe is calculated using Stokes–Einstein–Debye hydrodynamic theory with slip boundary condition and also from the measured reorientation times of another structurally similar, but nonhydrogen bonding solute molecule, 2,5-dimethyl-1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole. When the size of the solvent domains is used as an adjustable parameter in the AW analysis, a good agreement between the experimentally measured reorientation times and the calculated ones is obtained. The limitations of the applicability of the AW model to associative solvents are discussed.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.