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Analysis of possible reasons of R correlation coefficients decrease in the diagrams: basic spectral parameters diHin NMR 1H spectra of monosubstituted benzenes dependencies upon substituent X constants s
Published:
30 October 2010
by MDPI
in The 14th International Electronic Conference on Synthetic Organic Chemistry
session General Organic Synthesis
Abstract: Elimination of 4 haloidbenzenes, benzoic acid and diphenyl spectral parameters from all investigated dependencies DdiH–s and DCAP–s seems to be logically grounded. Such elimination is explained by specific behavior of this compounds in NMR 1H spectra. In this connection R correlation coefficient essentially increases in all diagrams with above constants elimination.
Keywords: NMR 1H spectra of monosubstituted benzenes, basic (diH) spectral parameters, sets of constants (s), ΔdiH-s and ΔCAP-s dependencies, correlation coefficient R, and differential correlation coefficient ΔR, elimination of spectral parameters, substituent plots in DdiH-s and DCAP-s diagrams, “linearity degree” of dependencies DdiH–s and DCAP–s, increase of correlation coefficient.
