METHOD OF IDENTIFICATION OF ALKYL RADICALS OF HOMOLOGICAL SERIES COMPOUNDS OF O-ALKYLALKYLFLUOROPHOSPHONATES Russian patent published in 2018 - IPC G01N21/35 

FIELD: chemistry.

SUBSTANCE: invention relates to the field of determining the structure of organic compounds and relates to a method for identifying alkyl radicals of compounds of the homologous series of O-alkylalkylfluorophosphonates. Method includes determining a set of spectral features allowing to obtain quantitative characteristics for grouping compounds by the form of their alkyl radicals. Sample of spectra is transformed so that the point with the minimum intensity in the range of 1500–700 cm^-1 corresponded to zero on the scale of optical density, and the point with the maximum intensity corresponded to unity. Intensities (A_i') for each point of the spectrum in the range 1500–700 cm^-1 are calculated. Relative intensities of the most intense peaks in the sections 1.290–1.250 cm^-1, 1065–990 cm^-1, 877–832 cm^-1, 940–910 cm^-1 are then measured. Based on the measurement results, a set of data is determined for calculating the indexes of the classification functions constructed as a result of applying discriminant analysis methods. On the highest indexes of classification functions, taking into account the intensity of the maximum peak from the range of 940–910 cm^-1 establish the structure of alkyl radicals.

EFFECT: increased reliability and efficiency of the detection of toxic chemicals.

1 cl, 8 dwg, 13 tbl