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  4. Dynamic solvation fields: a paradigm shift in solvent effects on chemical reactivity
 
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2025
Journal Article
Title

Dynamic solvation fields: a paradigm shift in solvent effects on chemical reactivity

Abstract
Traditional solvent descriptors - such as dielectric constant, donor number, or polarity scales - reduce complex, fluctuating environments to static averages. While valuable for capturing bulk trends, these parameters fail to account for the localized, time-resolved interactions that govern many chemical transformations. This perspective argues for a conceptual shift: treating solvents as dynamic solvation fields, characterized by fluctuating local structure, evolving electric fields, and time-dependent response functions. Drawing on a synthesis of experimental, computational, and theoretical work from 2015-2025, we show how solvent dynamics modulate transition state stabilization, steer nonequilibrium reactivity, and reshape interfacial chemical processes. We critically examine the limitations of continuum and linear-response models and highlight emerging tools - from ultrafast spectroscopy to machine-learned potentials - that expose the active role of the solvent in chemistry. Finally, we propose a conceptual framework for a general theory of dynamic solvation fields, with implications for catalysis, nucleation, and thin-film formation. This approach offers a more faithful and predictive understanding of solvent effects in modern physical chemistry.
Author(s)
Becker, Markus
Fraunhofer-Institut für Schicht- und Oberflächentechnik IST  
Journal
Physical chemistry, chemical physics : PCCP  
Open Access
File(s)
Download (1.87 MB)
Rights
CC BY 4.0: Creative Commons Attribution
DOI
10.1039/d5cp02863a
10.24406/publica-6746
Additional link
Full text
Language
English
Fraunhofer-Institut für Schicht- und Oberflächentechnik IST  
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