Interaction between Molecule Fragments Unbound by Chemical Bonds through the Space during NMR 1H Spectra Registration

Abstract

The chemical shifts in NMR 1 H spectra of the para-substituted propylbenzens of the general formula: p-X-C 6 H 4-CRR 1 CH 2 CH 3 (where R, R 1 = H, CH 3) have been analyzed. The presence or absence of the aryl fragment influence on the methyl end-group was observed by the value of the basic spectral parameters-the chemical shifts of methyl protons (δ СН3 Н) in comparison with analogous data of corresponding alkanes. The specific criteria for identifying such effect were developed and validated. We make the overall conclusion about high probability of the reciprocal intramolecular interactions between unbound fragments of the molecule in tert-amylbenzene and tertamylphenol (R = R 1 = CH 3).