Dr. Eduard Matito

Quantum Chemistry


Electron Delocalization in Organic Chemistry

Posted on October 13, 2011 at 1:25 PM

Last year Miquel Solà and myself accepted an invitation from Current Organic Chemistry (Bentham) to edit an especial issue in this journal. We decided for the topic of electron delocalization applied to the field of organic chemistry. We invited some reputed experts in this field -Bernard Silvi, Juan Andrés, Ángel R. de Lera, Fernando P. Cossío, Janos G. Ángyán, Patricio Fuentealba and Tomás Rocha-Rinza-, to write a paper on this topic. They wrote seven reviews with special emphasis in the tools of Atoms-in-Molecules (due to Bader), the electron localization function (ELF) and even some new tools currently being developed (Ángyán's). They use these tools to analyze the electron delocalization and the aromaticity in several organic compounds and reactions, such as several electrocyclic reactions (including pericyclic reactions) and the electrophilic aromatic substitution.

The issue is available here

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