The aromaticity of substituted diazanaphthalenes
COMPUTATIONAL AND THEORETICAL CHEMISTRY, vol.963, pp.263-267, 2011 (SCI-Expanded, Scopus)
- 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 (SCI-EXPANDED), Scopus
- Page Numbers: pp.263-267
- Van Yüzüncü Yıl University Affiliated: Yes
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.