A New Index for the Estimation of the Aromatic Character – V

Title:A New Index for the Estimation of the Aromatic Character – V

VOLUME: 12 ISSUE: 4

Author(s):Maurizio D’Auria

Affiliation:Dipartimento di Scienze, Universita della Basilicata, Viale dell’Ateneo Lucano 10, 85100 Potenza, Italy.

Keywords:Aromaticity, ASE, ISE, benzene, naphthalene, pyridine.

Abstract:The aromaticity index D ={[π₁+∑₂ⁿ (π₁ – π ₂ )]₀ / [π₁+∑₂ⁿ (π₁ – π ₂ )]}× a , where π₁ ... π_n are the energy of the occupied  molecular orbitals and a is the number of the cycles in the molecule, has been tested in the case of substituted hexaatomic aromatic compounds. The correlation between D and ASE in the case of substituted benzene derivatives is reported. Furthermore, the correlations between D and ISE in the case of substituted naphthalene and pyridine derivatives showed a good correlation.

Cite this article as:

Maurizio D’Auria, “A New Index for the Estimation of the Aromatic Character – V”, Letters in Organic Chemistry (2015) 12: 233. https://doi.org/10.2174/1570178612666150226225823

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