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Updated: Jun 10, 2026

Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow
Published on: April 24, 2014
Study of ring influence and electronic response to proton transfer reactions. Reaction electronic flux analysis
1QTC, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna, 4860 Macul, Santiago, Chile. bherrera@uc.cl
Abstract:
In this article, a theoretical study of 1-5 proton transfers is presented. Two model systems which represent 1-5 proton transfer, 3-hidroxy-2-propenimine and salicyldenaniline have been studied as shown in Fig. 1. For this purpose, a DFT/B3LYP/6-311+G**, reaction force and reaction electronic flux analysis is made. The obtained results indicate that both proton transfers exhibit energetic and electronic differences emphasizing the role of the neighbor ring and the impact of conjugation on electronic properties.
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