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Issue 99, 2016
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Difference in pi-electron delocalization for monosubstituted olefinic and aromatic systems

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Abstract

Application of HOMA (Harmonic Oscillator Model of Aromaticity) to a series of monosubstituted derivatives of cyclohexa-1,3-diene (olefinic) and benzene (aromatic) revealed an increase of the pi-electron delocalization in olefinic systems and a decrease in the case of aromatic systems (in comparison to unsubstituted species). Due to the nature of the system to which the substituents are attached, the range of changes of the electron donating/attracting (ED/EA) properties of the substituents may be as large as 30% of the total variation of ED/EA properties for all substituents considered.

Graphical abstract: Difference in pi-electron delocalization for monosubstituted olefinic and aromatic systems

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Publication details

The article was received on 10 Aug 2016, accepted on 05 Oct 2016 and first published on 10 Oct 2016


Article type: Paper
DOI: 10.1039/C6RA20163F
Citation: RSC Adv., 2016,6, 96527-96530
  • Open access: Creative Commons BY license
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    Difference in pi-electron delocalization for monosubstituted olefinic and aromatic systems

    T. Siodla, H. Szatylowicz, K. S. Varaksin and T. M. Krygowski, RSC Adv., 2016, 6, 96527
    DOI: 10.1039/C6RA20163F

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