Dissemin is shutting down on January 1st, 2025

Published in

Elsevier, Journal of Molecular Structure: THEOCHEM, 1-3(943), p. 121-126

DOI: 10.1016/j.theochem.2009.11.013

Links

Tools

Export citation

Search in Google Scholar

The reaction electronic flux: A new descriptor of the electronic activity taking place during a chemical reaction. Application to the characterization of the mechanism of the Schiff’s base formation in the Maillard reaction

This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Red circle
Postprint: archiving forbidden
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

Within the framework defined by the reaction force analysis, the reaction electronic flux, a new descriptor proposed to characterize the electronic activity that takes place during a chemical reaction, is used to elucidate the mechanism of the Schiff’s base formation in the Maillard reaction. The electronic activity is identified as being due to electronic polarization and transfer effects that show up at specific regions along the reaction coordinate. It is found that the Schiff base formation step of the Maillard reaction proceeds through consecutive electron polarization and transfer processes, the energy involved at each step of the reaction is quantified through the reaction works obtained from the reaction force profile.