Dr. Eduard Matito

Quantum Chemistry


Review on Aromaticity and Electron Delocalization

Posted on September 6, 2015 at 12:00 PM

We have recently published together with Ferran Feixas, Jordi Poater and Miquel Solà a review on Chemical Society Reviews (from RSC) covering the last 12 years studying the connections between aromaticity and electron delocalization. During this time we have developed a series of aromaticity indices (PDI, FLU, ING and INB) and constructed aromaticity tests (1 and 2) that allow a more reliable description of aromaticity not only in organic molecules but also inorganic molecules such as the all-metal clusters. These tools have been implemented in our own computational code (ESI-3D) and have been applied to a plethora of systems.

Miquel Solà, who has supervised the theses of the three of us (Jordi, Ferran and me) received the invitation from the editorial board of the Chemical Society Reviews who has published our work this week, including the inside cover of the journal that has been designed by Ferran.

In this link you can find the article or ask for a reprint if you don't have access.

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