Spectra-Structure Correlation of Alkyl Peroxides

Article abstract of DOI:10.1021/ac00229a033

Spectroscopic data have been determined for a series of peroxides and hydroperoxides with general formulas X(Y)CHOOCH(Y)X and X(Y)CHOOH where X = H, OH, alkyl, or ether and Y = H, alkyl, or aromatic. 1H NMR and infrared spectra were used for structural identification.Sufficient 1H NMR data were obtained to define a Shoolery constant and to study the effects of electronic interaction for the above peroxides.Selected compounds in the group have also been investigated by 13C NMR and Raman spectrometry.The results of the four spectrometric methods were correlated with literature data and used to indicate hydrogen bonding and electronic effects of the peroxide bond.