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A Correlation Analysis Study of Substituent Effects by 13C Nuclear Magnetic Resonance Spectrometry: Effect of Solvent on The Chemical Shift of Cα and C of Methyl Substituted Cinnamate. | ||
| Journal of Basrah Researches (Sciences) | ||
| Article 1, Volume 39, Issue 4, 2013, Pages 7-19 PDF (0 K) | ||
| Author | ||
| Sabih Abdul-wadood Othman Al-Shawi | ||
| Abstract | ||
| The 13C Substituent Chemical Shifts (SCS) for Cα and C atoms for the meta-X, meta-CH2X and para-CH2X substituted methylcinnamate(X= H, Me, OMe, OPh, NMe2, F, Cl, Br, I, CF3, CN, NO2) in six different solvents (EtOH, Me2SO, Me2CO, CDCl3, CCl4 and C6H6), were modelled by two different types of substituent parameter: namely mono substituent parameter (MSP)(Hammett’s model), and dual substituent parameter DSP(modified Swain-Lupton model). For both C and Cα in meta-X series and the para-CH2X series, the quality of Hammett’s model and the modified Swain-Lupton model were found to be similar, while for C and Cα in the meta-CH2X series the modified Swain-Lupton model is the best one. There is no significant difference between the reaction constants values in the same model, of the same atom of the same series in different solvents. The final conclusion, is that no solvent effect on CH2X groups when studied by 13C NMR spectrometry on using Hammett’s and modified Swain-Lupton models. | ||
| Keywords | ||
| Correlation analysis; C SCS; Methyl substituted cinnamate; Hammett; Modified Swain; Lupton Model; Solvent Effect; Field and Resonance Effects | ||
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