Title of article :
The aromaticity of substituted diazanaphthalenes
Author/Authors :
Gümü?، نويسنده , , Selçuk، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2011
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
Journal title :
Computational and Theoretical Chemistry