METHOD FOR DETERMINATION OF IONIZATION POTENTIAL AND AFFINITY TO ELECTRON OF ORGANIC MOLECULES OF OXYGEN- AND AZOT-CONTAINING COMPOUNDS Russian patent published in 2018 - IPC G01N21/00 

FIELD: chemistry.

SUBSTANCE: invention relates to methods for determination of ionization potentials and electron affinities for organic molecules of oxygen- and nitrogen-containing compounds. Method for determination of ionization potentials and electron affinities of molecules of oxygen- and nitrogen-containing compounds, including registration of absorption spectra in chemically pure solutions of samples in ultraviolet and visible regions, ionization potential and affinity to electron are determined by autocorrelation function, calculated from electronic spectrum in visible and (or) UV ranges. Ionization potential and affinity to electron are determined by formulas: PI =α₁+α₂ACF, SE =β₁+β₂ACF, where PI is ionization potential, eV; SE - affinity to electron, eV; ACF - autocorrelation function, 10¹⁵ Hz; (α₁, α₂), (β₁, β₂) - empirical coefficients, Constants for molecules that are close in chemical nature, whose dimensions are eV and eV⋅10^-17⋅Hz^-1 respectively.

EFFECT: aim of invention is to increase accuracy of methods for determining PI and FE and to extend it to other classes of compounds, which do not belong to aromatic molecules; the goal is achieved through usage of new method for determination of ionization potentials and electron affinity of oxygen- and nitrogen-molecules containing compounds.

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