A computational study on substituted diazabenzenes

Authors

SELÇUK GÜMÜŞ

DOI

10.3906/kim-1012-875

Abstract

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.

Keywords

Aromaticity, NICS, pyridazine, pyrimidine, pyrazine

First Page

803

Last Page

808

Recommended Citation

GÜMÜŞ, SELÇUK (2011) "A computational study on substituted diazabenzenes," Turkish Journal of Chemistry: Vol. 35: No. 5, Article 11. https://doi.org/10.3906/kim-1012-875
Available at: https://journals.tubitak.gov.tr/chem/vol35/iss5/11