The Correlation   Analysis  of  Substituents  Effect  on  13C  NMR Chemical Shifts of E-2-(-4’-X-benzylidene)-1-indanones, -tetralones, –benzosuberones  and  Chalcones.

Abdul-wadood Othman Al-Shawi, Sabih

	The Correlation Analysis of Substituents Effect on 13C NMR Chemical Shifts of E-2-(-4’-X-benzylidene)-1-indanones, -tetralones, –benzosuberones and Chalcones.
Journal of Basrah Researches (Sciences)
Article 1, Volume 40, Issue 1, 2014, Pages 132-145 PDF (0 K)
Author
Sabih Abdul-wadood Othman Al-Shawi
Abstract
The 13C Substituent Chemical Shifts (SCS) effect on (Cα )C2, C9a, (C )C10 and C1’ atoms for E-2-(-4’-X-benzylidene)-1-indanones, -tetralones, –benzosuberones and Chalcones (X= H, NMe2, OMe, Me, F, Cl, Br, CN, NO2) in CDCl3 solvent. The effect was studied using two different types of substituent parameter: namely mono substituent parameter MSP ( 13 model, Hammett’s and the Brown-Okamoto models), and dual substituent parameters DSP (modified Swain-Lupton, Reynolds, Taft and modified Godfrey models). Both MSP and DSP models reflected that the resonance effect contributes more on the chemical shift of (Cα )C2, while inductive effects primarily affect the chemical shift of (C )C10 of the enone moiety of all the four series. The latter effect, however, is far not as pronounced as that of the former one. It is found that DSP model ( F and R values) of 13C SCS effect on C2 can serve as a measure to study the conformation (or the planarity) of the investigated enones in the four series. Finally, MSP and DSP models performance are performed.
Keywords
Correlation analysis; C SCS; Hammett; model; Modified Swain; Lupton Model; Brown; Reynolds model; Taft model; modified God; frey model; chalcones; Transmission of substituent Effects

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