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Updated: Jun 29, 2026

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

Published on: August 12, 2013

Solvent effects on electrophilicity.

P Pérez¹, A Toro-Labbé, R Contreras

¹Departamento de Química Física, Pontificia Universidad Católica de Chile, Casilla 306, Correo 22, Santiago, Chile.

Journal of the American Chemical Society

|June 8, 2001

Summary

This summary is machine-generated.

Solvent effects on electrophilicity were studied using the self-consistent isodensity polarized continuum model (SCI-PCM). Solvation enhances electrophilicity for neutral molecules but reduces it for charged ones.

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Area of Science:

Computational chemistry
Theoretical chemistry
Quantum chemistry

Background:

The electrophilicity index quantifies a molecule's resistance to nucleophilic attack.
Understanding solvent effects is crucial for predicting chemical reactivity in solution.
The self-consistent isodensity polarized continuum model (SCI-PCM) is a method for simulating solvent effects.

Purpose of the Study:

To investigate the impact of continuum solvent effects on the electrophilicity index.
To analyze the relationship between solvation energy and changes in electrophilicity.
To examine how polarizable environments influence the electrophilicity of diverse molecules.

Main Methods:

Utilized the self-consistent isodensity polarized continuum model (SCI-PCM) to model solvent effects.
Calculated the electrophilicity index for 18 different electrophiles in various solvent environments.
Applied reaction field theory to relate solvation energy and electrophilicity index changes.

Main Results:

A linear correlation was observed between the electrophilicity index change and solvation energy.
Solvation was found to increase the electrophilicity of neutral electrophilic ligands.
Solvation was found to decrease the electrophilicity of charged and ionic electrophiles.

Conclusions:

Continuum solvent models like SCI-PCM accurately capture the influence of the environment on electrophilicity.
The effect of solvation on electrophilicity is dependent on the charge of the electrophilic species.
This study provides insights into predicting reactivity in solution for a range of electrophiles.