Let¡¯s face it, organic chemistry can seem difficult to learn. 108-47-4. Especially from a beginner¡¯s point of view. Like 108-47-4, Name is 2,4-Dimethylpyridine. In a document type is Article, introducing its new discovery.
Simulation of 13C N.M.R. Spectra of Nitrogen-Containing Aromatic Compounds
The 13C n.m.r. spectra of a series of nitrogen-containing aromatic compounds have been simulated by using parametric techniques.The observed chemical shifts were related to numerically encoded structural parameters, called descriptors.The electronic and geometric descriptors were calculated after optimization of the molecular structures by using the MNDO semiempirical method.Subsequently, the method of stepwise, multiple linear regression was used to calculate coefficients relating the descriptors to the observed chemical shifts.This study involves 32 compounds such as pyridine, pyrimidine, triazine, pyridazine, and their methyl derivatives.Plotting of experimantal against calculated chemical shifts for 23 carbon centres in the prediction set of five compounds shows a standard deviation of 1.41 ppm and a correlation coefficient of 0.999.
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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis