Reply to the Correspondence on “How Aromatic Are Molecular Nanorings? The Case of a Six‐Porphyrin Nanoring”**
Irene Casademont‐Reig, Luis Soriano‐Agueda, Eloy Ramos‐Cordoba, Miquel Torrent‐Sucarrat, Eduard Matito
Abstract
Abstract A recent article by Anderson and co‐workers challenges our conclusions on the aromaticity of the four oxidation states of a butadyine‐linked six‐porphyrin nanoring, based on the experimental 1 H‐NMR data and some recent calculations they have performed using the BLYP35 functional. Here, we show that BLYP35 should be taken with caution and demonstrate that the indirect evidence of a ring current from experimental 1 H‐NMR data is not a definite proof of aromaticity.
Topics & Concepts
NanoringAromaticityPorphyrinRing (chemistry)ChemistryComputational chemistryMaterials scienceNanotechnologyMoleculePhotochemistryOrganic chemistrySynthesis and Properties of Aromatic CompoundsPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials