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

Author(s): Maurizio D’Auria .

Journal Name: Letters in Organic Chemistry

Volume 12 , Issue 4 , 2015

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Abstract:

The aromaticity index D ={[π1+∑2n1 – π 2 )]0 / [π1+∑2n1 – π 2 )]}× a , where π1 ... πn 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.

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

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Article Details

VOLUME: 12
ISSUE: 4
Year: 2015
Page: [233 - 236]
Pages: 4
DOI: 10.2174/1570178612666150226225823
Price: $58

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