Isaac Scientific Publishing

Modern Organic Chemistry Research

A Computational Study on Tri and Tetraazaanthracenes

Download PDF (515.2 KB) PP. 23 - 29 Pub. Date: May 1, 2018

DOI: 10.22606/mocr.2018.32001

Author(s)

  • Ahmet KÖLE
    Van Yuzuncu Yil University, Faculty of Science, Department of Chemistry, 65080, Van, Turkey
  • Selçuk GÜMÜŞ*
    Van Yuzuncu Yil University, Faculty of Science, Department of Chemistry, 65080, Van, Turkey

Abstract

Tri and tetraazaanthracene derivatives have been considered theoretically to obtain information about their stabilities and aromaticities. The expected decrease of aromaticity of parent anthracene by tri or tetraaza substitution has been compensated by substitution of one of the hydrogens of the system by an electronegative group. The position of the substituent has been proved to be strongly effective on the aromaticity of the structure such that, the aromaticity is enhanced when the susbtituent is closer to the aza points.

Keywords

Aromaticity; triazaanthracenes; tetraazaanthracenes; NICS

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