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V. N. Belevskii

Ionic processes in radiation chemistry of oxygen-containing compound in condensed phase


The mechanisms of ion-radical processes induced by X-rays and -radiolysis in different organic compaund (alcohols, ethers, linear and cyclic ethers, acetales and diethers, aldehydes, ketones, carbonic acids and amides) have been investigated in the radiation chemical laboratory, department of chemistry, Moscow State University. Structure and reactivity of radical cations of same organic compounds in irradiated frozen freonic matrix were studied by ESR technique. The radical products resulted from radiolysis in neat organic substunces at liquid phase were studied using spin trapping techique. Electronic, spin and energy characteristics of radical cations of series of alcohols, amides, aldehydes, linear and cyclic ethers and acetales were calculated quantum chemically using MNDO-UHF, DFT (PBE) and ab initio MP2 methods. The resalts of calculations are effectivily correlated with ESR data obtained in freonic metrices and in liquid phase. The analysis of this characteristics and ESR data allowed to predict the most probable mechanisms of intermediats transformation. Electronic structure and geometry are controled the thermal and photochemical transformation of radical cations: ion-molecular reactins, isomerization, rearrangements and fragmentations.
Moscow University Chemistry Bulletin.
2001, Vol. 42, No. 3, P. 205

Copyright (C) Chemistry Dept., Moscow State University, 2002
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