Browsing Artículos by Author "Casademont i Reig, Irene"

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      How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring** 

      Casademont i Reig, Irene; Guerrero Avilés, Raúl Ignacio; Ramos Córdoba, Eloy; Torrent Sucarrat, Miquel; Matito, Eduard (Wiley, 2021-11-02)
      Large conjugated rings with persistent currents are novel promising structures in molecular-scale electronics. A six-porphyrin nanoring structure that allegedly sustained an aromatic ring current involving 78 pi electrons ...
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      Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins 

      Casademont i Reig, Irene; Woller, Tatiana; García, Víctor; Contreras García, Julia; Tiznado, William; Torrent Sucarrat, Miquel; Matito, Eduard; Alonso, Mercedes (Wiley, 2023-01)
      Despite the central role of aromaticity in the chemistry of expanded porphyrins, the evaluation of aromaticity remains difficult for these extended macrocycles. The presence of multiple conjugation pathways and different ...