Difference in pi-electron delocalization for monosubstituted olefinic and aromatic systems
T. Siodla , Halina Szatyłowicz , K.S. Varaksin , Tadeusz Marek Krygowski
AbstractApplication 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.
|Journal series||RSC Advances, ISSN 2046-2069|
|Publication size in sheets||0.5|
|project||[2013/11/B/ST4/00531 POLON ] Towards physical interpretation of the substituent effect. Project leader: Szatyłowicz Halina,
, Phone: (22) 234-7755 w. 106, start date 22-08-2014, Implemented
|Score|| = 30.0, 28-11-2017, ArticleFromJournal|
= 35.0, 28-11-2017, ArticleFromJournal
|Publication indicators||: 2016 = 3.108 (2) - 2016=3.257 (5)|
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