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В рамках «квантовой теории атомов в молекулах» (QTAIM) определено электронное строение молекул ряда метилидинсульфоксидалканов n-C H-S(О)СН, где 1 ≤ n ≤ 10. Составлена качественная шкала электроотрицательностей функциональных групп. Within the framework of the «quantum theory of atoms in molecules» (QTAIM), the electronic structure of the molecules of a series of methylidinesulfoxidealkanes n-CH-S(О)СН, where 1 ≤ n ≤ 10, was determined. A qualitative scale of electronegativities of functional groups was compiled.

Numerical values of the enthalpies of formation of oxygen containing organic radicals of alcohol and ether derivatives (Δ f H°) were analyzed. For seven out of 25 compounds the corre sponding Δ f H° values were determined more accurately. For 35 radicals, the Δ f H° values were determined for the first time based on the published values of bond dissociation energies in molecules and on the corresponding enthalpies of their formation. Based on the analysis of the Δ f H° values for 60 radicals studied, a structure-property (enthalpy of formation) correlation was established, described in the framework of the group additivity scheme. The parameters for calculations of Δ f H° values for the title radicals were recommended.

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