Magnetic Aromaticity of Cycloporphyrin Nanorings

نویسندگان

چکیده

The ascertainment of magnetic aromaticity is not necessarily straightforward, especially for large and bent systems, such as the cycloporphyrin nanorings recently synthesized by group Anderson. Six these were studied here computationally. Indirect methods, based on nuclear shielding magnetizabilities, direct standard quantum mechanics, both used effectively to determine their magnetically induced current strength, which mostly confirmed Anderson’s classification. However, in case hexanions, particular cyclohexaporphyrin hexacations, a significant cancellation delocalized diatropic paratropic flow occurred, showing that resultant faint aromatic character was result competing antiaromatic contributions, also evidenced ipsocentric method. A warning renewed use isotropic tropicity current.

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ژورنال

عنوان ژورنال: Chemistry

سال: 2021

ISSN: ['2624-8549']

DOI: https://doi.org/10.3390/chemistry3030071