A computational study on substituted diazabenzenes


Gumus S.

TURKISH JOURNAL OF CHEMISTRY, cilt.35, ss.803-808, 2011 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 35 Konu: 5
  • Basım Tarihi: 2011
  • Doi Numarası: 10.3906/kim-1012-875
  • Dergi Adı: TURKISH JOURNAL OF CHEMISTRY
  • Sayfa Sayıları: ss.803-808

Özet

The results of computational calculations on the aromaticity of the monosubstituted diazabenzenes (pyridazine, pyrimidine, and pyrazine) are reported herein. The aromaticity of the parent heterocycle was enhanced by substitution of strong electron-withdrawing groups. The effects of the position of the substituent on the aromaticity and the stability of the system were also investigated by studying all possible derivatives of the systems.