AN AB INITIO STU DY ON THE CORELATION BETWEEN THE ABSOLUTE CONFIGURATION AND THE CD SPECTRA OF ORGANIC PEROXIDES

摘要

Correlation between the absolute configuration and the CDspectra of organic peroxides was studied by ab initio method with a mo-d el moleeule CH3-O-O-CH3.For P form when 0°≤θ（twist angle of C-O-O-C）90°, there is positive Cotton effect;when 90°θ≤180°, there is nega-tive Cotton effect;the curve is bisignate at θ=90°.