The aromaticity of substituted diazanaphthalenes


Gumus S.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, vol.963, pp.263-267, 2011 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 963
  • Publication Date: 2011
  • Doi Number: 10.1016/j.comptc.2010.10.026
  • Journal Name: COMPUTATIONAL AND THEORETICAL CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.263-267

Abstract

Substituted (F, Cl, OH) diazanaphthalene derivatives have been considered theoretically to obtain information about their stabilities and aromaticities. The expected decrease of aromaticity of naphthalene itself by double aza substitution has been compensated by substitution of one of the hydrogens of the system by an electronegative atom. 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. (C) 2010 Elsevier B.V. All rights reserved.