A Computational Study on Tri and Tetraazaanthracenes
作者: Ahmet KÖLE Selçuk GÜMÜŞ
刊名: Modern Organic Chemistry Research, 2018, Vol.3 (2)
来源数据库: Isaac Scientific Publishing
DOI: https://dx.doi.org/10.22606/mocr.2018.32001
关键词: AromaticityTriazaanthracenesTetraazaanthracenesNICS
原始语种摘要: Tri and tetraazaanthracene derivatives have been considered theoretically to obtain information about their stabilities and aromaticities. The expected decrease of aromaticity of parent anthracene by tri or tetraaza substitution has been compensated by substitution of one of the hydrogens of the system by an electronegative group. 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.
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  • substituent 取代基
  • aromaticity 芳香度
  • anthracene 
  • substitution 同位素置换
  • compensated 有偿
  • information 报告
  • effective 有效的
  • strongly 强烈地
  • derivatives 派生物
  • system