Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 22, Issue 33, Pages 18388-18399Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0cp02840a
Keywords
-
Funding
- DOC Fellowship of the Austrian Academy of Sciences at the Institute of Computational Biological Chemistry
Ask authors/readers for more resources
Different types of spectroscopy capture different aspects of dynamics and different ranges of intermolecular contributions. In this article, we investigate the dielectric relaxation spectroscopy (DRS) of collective nature and the time-dependent Stokes shift (TDSS) of disputed nature. Our computational study of unconfined and confined water clearly demonstrates that the TDSS reflects local, non-collective dynamics. Surprisingly, we found that the reaction field continuum model (RFCM) used to estimate TDSS curves solely from collective DRS spectra correctly transforms collective dynamics to local ones even in cases when the relaxation time trends are quite different. This correct transformation is possible due to structural information available in the DRS amplitude in a Kivelsen-Madden like context.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available