Generic placeholder image

Letters in Organic Chemistry

Editor-in-Chief

ISSN (Print): 1570-1786
ISSN (Online): 1875-6255

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

Author(s): Maurizio D’Auria

Volume 12, Issue 4, 2015

Page: [233 - 236] Pages: 4

DOI: 10.2174/1570178612666150226225823

Price: $65

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.

Graphical Abstract


Rights & Permissions Print Cite
© 2024 Bentham Science Publishers | Privacy Policy