Title of article
The aromaticity of substituted diazanaphthalenes
Author/Authors
Gümü?، نويسنده , , Selçuk، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
5
From page
263
To page
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.
Keywords
Aromaticity , NICS , HOMA , Diazanaphthalenes
Journal title
Computational and Theoretical Chemistry
Serial Year
2011
Journal title
Computational and Theoretical Chemistry
Record number
2284701
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