The aromaticity of substituted diazanaphthalenes

Gumus S.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, cilt.963, ss.263-267, 2011 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 963
  • Basım Tarihi: 2011
  • Doi Numarası: 10.1016/j.comptc.2010.10.026
  • Dergi Adı: COMPUTATIONAL AND THEORETICAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.263-267
  • Van Yüzüncü Yıl Üniversitesi Adresli: Evet

Özet

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.